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

Systemtic Name: 4-(4-dimethylaminophenyl)-5-oxidanylidene-4-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-5-oxo-4-phenyl-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-5-oxo-4-phenyl-2-[2-(1-piperidinyl)ethylthio]-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-5-oxo-4-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-4-phenyl-2-(2-piperidinoethylthio)-2-pyrroline-3-carbonitrile Formula: C26H30N4OS MolecularWeight: 446.6076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4OS/c1-29(2)22-13-11-21(12-14-22)26(20-9-5-3-6-10-20)23(19-27)24(28-25(26)31)32-18-17-30-15-7-4-8-16-30/h3,5-6,9-14H,4,7-8,15-18H2,1-2H3,(H,28,31)