4-(2-phenylsulfanylphenyl)-4-propanoyl-piperidine-1-carbonitrile

Systemtic Name: 4-(2-phenylsulfanylphenyl)-4-propanoyl-piperidine-1-carbonitrile Openeye Name: 4-(2-phenylsulfanylphenyl)-4-propanoyl-piperidine-1-carbonitrile CAS Name: 4-(1-oxopropyl)-4-[2-(phenylthio)phenyl]-1-piperidinecarbonitrile IUPAC Name: 4-(2-phenylsulfanylphenyl)-4-propanoylpiperidine-1-carbonitrile Traditional Name: 4-[2-(phenylthio)phenyl]-4-propionyl-piperidine-1-carbonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)C#N)C2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1(CCN(CC1)C#N)C2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS/c1-2-20(24)21(12-14-23(16-22)15-13-21)18-10-6-7-11-19(18)25-17-8-4-3-5-9-17/h3-11H,2,12-15H2,1H3