(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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![(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/28910c2dc99c48cc8f6744e808f8e554.png "(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid")
(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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CAS No:
577761-90-1
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Formula:
C21H18N4O4S
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Chemical Name:
(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC9411183;STK566906;STL505135;AKOS005492688;AKOS032384728;(2Z)-3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate;(2Z)-3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid;577761-90-1
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CAS No:
(Z)-3-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid Basic Attributes
422.5 g/mol
422.10487624 g/mol
Computed Properties
Molecular Weight:422.5
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:422.10487624
Monoisotopic Mass:422.10487624
Topological Polar Surface Area:146
Heavy Atom Count:30
Complexity:667
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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