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

Systemtic Name: 4-(4-dimethylaminophenyl)-5-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-5-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-5-oxo-2-[2-(1-piperidinyl)ethylthio]-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-5-oxo-2-(2-piperidin-1-ylethylsulfanyl)-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-2-(2-piperidinoethylthio)-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C25H29N5OS MolecularWeight: 447.59566

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5OS/c1-29(2)21-10-8-19(9-11-21)25(20-7-6-12-27-18-20)22(17-26)23(28-24(25)31)32-16-15-30-13-4-3-5-14-30/h6-12,18H,3-5,13-16H2,1-2H3,(H,28,31)