(E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/88d4d69290544ddb90eb8a86bc296b8d.png "(E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
577769-22-3
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Formula:
C18H15N3O4S
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Chemical Name:
(E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
MLS000778913;SMR000415617;(E)-3-[5-(4-Acetyl-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid;(E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;CHEMBL1455361;BDBM52867;cid_1840499;CHEBI:112450;HMS2752B22;ZINC6167024;STK727933;AKOS005525519;(2E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;(E)-3-[5-(4-acetylphenyl)-2-furanyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid;(E)-3-[5-(4-acetylphenyl)-2-furyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid;(E)-3-[5-(4-ethanoylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;577769-22-3
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CAS No:
Description
3-[5-(4-acetylphenyl)-2-furanyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid is an aromatic ketone.
(E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
369.4 g/mol
369.07832714 g/mol
Computed Properties
Molecular Weight:369.4
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:369.07832714
Monoisotopic Mass:369.07832714
Topological Polar Surface Area:134
Heavy Atom Count:26
Complexity:563
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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