N-(3-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: N-(3-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(3-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(3-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(3-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(3-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(=CC(=C1)NC(=O)CCCSC2=NC=NN2)C#N

Isomeric SMILES

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

InChI

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