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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=CN2N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=CN2N)OC

InChI

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