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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NNC(=N2)N

InChI

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