N-[(3-cyanophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: N-[(3-cyanophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-[(3-cyanophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(3-cyanophenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(3-cyanophenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-[(3-cyanobenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(C1=NC=NN1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCC(=O)N(C1=NC=NN1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H17N5OS/c1-2-3-7-14(21)20(15-17-11-18-19-15)22-10-13-6-4-5-12(8-13)9-16/h4-6,8,11H,2-3,7,10H2,1H3,(H,17,18,19)