4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxo-2-[2-(1-piperidinyl)ethylthio]-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-keto-2-(2-piperidinoethylthio)-2-pyrroline-3-carbonitrile Formula: C26H29ClN4OS MolecularWeight: 481.05266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4OS/c1-30(2)22-12-8-20(9-13-22)26(19-6-10-21(27)11-7-19)23(18-28)24(29-25(26)32)33-17-16-31-14-4-3-5-15-31/h6-13H,3-5,14-17H2,1-2H3,(H,29,32)