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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)butanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)butanamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)butanamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanophenyl)butanamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanophenyl)butyramide Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NNC(=N2)N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C#N)SC2=NNC(=N2)N

InChI

InChI=1S/C13H14N6OS/c1-2-10(21-13-17-12(15)18-19-13)11(20)16-9-6-4-3-5-8(9)7-14/h3-6,10H,2H2,1H3,(H,16,20)(H3,15,17,18,19)