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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)propanamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)propanamide CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-cyanophenyl)propanamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)propanamide Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-cyanophenyl)propionamide Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCSC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCSC2=NNC(=N2)N

InChI

InChI=1S/C12H12N6OS/c13-7-8-1-3-9(4-2-8)15-10(19)5-6-20-12-16-11(14)17-18-12/h1-4H,5-6H2,(H,15,19)(H3,14,16,17,18)