3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3,4-dimethoxyphenyl)benzamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)OC

InChI

InChI=1S/C18H19N5O3S/c1-25-14-7-6-13(9-15(14)26-2)20-16(24)12-5-3-4-11(8-12)10-27-18-21-17(19)22-23-18/h3-9H,10H2,1-2H3,(H,20,24)(H3,19,21,22,23)