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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)acetamide Formula: C11H13N5OS MolecularWeight: 263.31882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C11H13N5OS/c1-7-3-2-4-8(5-7)13-9(17)6-18-11-14-10(12)15-16-11/h2-5H,6H2,1H3,(H,13,17)(H3,12,14,15,16)