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

Systemtic Name: N-(4-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(4-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(4-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(4-cyanophenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(4-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=C1C#N)NC(=O)CCCSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCCSC2=NC=NN2

InChI

InChI=1S/C13H13N5OS/c14-8-10-3-5-11(6-4-10)17-12(19)2-1-7-20-13-15-9-16-18-13/h3-6,9H,1-2,7H2,(H,17,19)(H,15,16,18)