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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C12H12N6OS MolecularWeight: 288.32828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NN=CN2N

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NN=CN2N

InChI

InChI=1S/C12H12N6OS/c13-6-5-9-1-3-10(4-2-9)16-11(19)7-20-12-17-15-8-18(12)14/h1-4,8H,5,7,14H2,(H,16,19)