N-(2-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: N-(2-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(2-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(2-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(2-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(2-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCCSC2=NC=NN2

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCCSC2=NC=NN2

InChI

InChI=1S/C13H13N5OS/c14-8-10-4-1-2-5-11(10)17-12(19)6-3-7-20-13-15-9-16-18-13/h1-2,4-5,9H,3,6-7H2,(H,17,19)(H,15,16,18)