[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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![[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9ccc52e717d54484977ec7dc50942145.png "[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate")
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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CAS No:
481645-26-5
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Formula:
C21H15N7O5S
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Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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Synonyms:
ZINC2621089;Z19255984;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;481645-26-5
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CAS No:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Basic Attributes
477.5 g/mol
477.08553778 g/mol
Computed Properties
Molecular Weight:477.5
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:477.08553778
Monoisotopic Mass:477.08553778
Topological Polar Surface Area:201
Heavy Atom Count:34
Complexity:858
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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