4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)pyrrolidine-2-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)pyrrolidine-2-carbonitrile Openeye Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxo-2-[2-(1-piperidyl)ethylsulfanyl]pyrrolidine-2-carbonitrile CAS Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxo-2-[2-(1-piperidinyl)ethylthio]-2-pyrrolidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)pyrrolidine-2-carbonitrile Traditional Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-keto-2-(2-piperidinoethylthio)pyrrolidine-2-carbonitrile Formula: C26H31ClN4OS MolecularWeight: 483.06854

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(CC(NC2=O)(C#N)SCCN3CCCCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(CC(NC2=O)(C#N)SCCN3CCCCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN4OS/c1-30(2)23-12-8-21(9-13-23)26(20-6-10-22(27)11-7-20)18-25(19-28,29-24(26)32)33-17-16-31-14-4-3-5-15-31/h6-13H,3-5,14-18H2,1-2H3,(H,29,32)