2-methylsulfanyl-4-oxidanylidene-1-(4-phenylpiperidin-1-yl)carbonyl-quinolizine-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-oxidanylidene-1-(4-phenylpiperidin-1-yl)carbonyl-quinolizine-3-carbonitrile Openeye Name: 2-methylsulfanyl-4-oxo-1-(4-phenylpiperidine-1-carbonyl)quinolizine-3-carbonitrile CAS Name: 2-(methylthio)-4-oxo-1-[oxo-(4-phenyl-1-piperidinyl)methyl]-3-quinolizinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-oxo-1-(4-phenylpiperidine-1-carbonyl)quinolizine-3-carbonitrile Traditional Name: 4-keto-2-(methylthio)-1-(4-phenylpiperidine-1-carbonyl)quinolizine-3-carbonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCC(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)N3CCC(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H21N3O2S/c1-29-21-18(15-24)22(27)26-12-6-5-9-19(26)20(21)23(28)25-13-10-17(11-14-25)16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3