N-[1-(4-cyanobutyl)pyrazol-4-yl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[1-(4-cyanobutyl)pyrazol-4-yl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[1-(4-cyanobutyl)pyrazol-4-yl]propanamide CAS Name: N-[1-(4-cyanobutyl)-4-pyrazolyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[1-(4-cyanobutyl)pyrazol-4-yl]propanamide Traditional Name: 2-(benzylthio)-N-[1-(4-cyanobutyl)pyrazol-4-yl]propionamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(N=C1)CCCCC#N)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CN(N=C1)CCCCC#N)SCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4OS/c1-15(24-14-16-8-4-2-5-9-16)18(23)21-17-12-20-22(13-17)11-7-3-6-10-19/h2,4-5,8-9,12-13,15H,3,6-7,11,14H2,1H3,(H,21,23)