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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C13H17N5O4S MolecularWeight: 339.37018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=CN2N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NN=CN2N

InChI

InChI=1S/C13H17N5O4S/c1-20-9-4-8(5-10(21-2)12(9)22-3)16-11(19)6-23-13-17-15-7-18(13)14/h4-5,7H,6,14H2,1-3H3,(H,16,19)