N-(1-cyanocyclohexyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: N-(1-cyanocyclohexyl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: 2-(benzylthio)-N-(1-cyanocyclohexyl)propionamide Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2OS/c1-14(21-12-15-8-4-2-5-9-15)16(20)19-17(13-18)10-6-3-7-11-17/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,19,20)