2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-veratryl-acetamide Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NNC(=N2)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NNC(=N2)N)OC

InChI

InChI=1S/C13H17N5O3S/c1-20-9-4-3-8(5-10(9)21-2)6-15-11(19)7-22-13-16-12(14)17-18-13/h3-5H,6-7H2,1-2H3,(H,15,19)(H3,14,16,17,18)