4-phenyl-1-(6-propylsulfanylpyridin-3-yl)carbonyl-piperidine-4-carbonitrile

Systemtic Name: 4-phenyl-1-(6-propylsulfanylpyridin-3-yl)carbonyl-piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-(6-propylsulfanylpyridine-3-carbonyl)piperidine-4-carbonitrile CAS Name: 1-[oxo-[6-(propylthio)-3-pyridinyl]methyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 4-phenyl-1-(6-propylsulfanylpyridine-3-carbonyl)piperidine-4-carbonitrile Traditional Name: 4-phenyl-1-[6-(propylthio)nicotinoyl]isonipecotonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C=C1)C(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NC=C(C=C1)C(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS/c1-2-14-26-19-9-8-17(15-23-19)20(25)24-12-10-21(16-22,11-13-24)18-6-4-3-5-7-18/h3-9,15H,2,10-14H2,1H3