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

Systemtic Name: 4-(4-dimethylaminophenyl)-5-oxidanylidene-2-(2-piperazin-1-ylethylsulfanyl)-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-5-oxo-2-(2-piperazin-1-ylethylsulfanyl)-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-5-oxo-2-[2-(1-piperazinyl)ethylthio]-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-5-oxo-2-(2-piperazin-1-ylethylsulfanyl)-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-2-(2-piperazinoethylthio)-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C24H28N6OS MolecularWeight: 448.58372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCN3CCNCC3)C#N)C4=CN=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCN3CCNCC3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C24H28N6OS/c1-29(2)20-7-5-18(6-8-20)24(19-4-3-9-27-17-19)21(16-25)22(28-23(24)31)32-15-14-30-12-10-26-11-13-30/h3-9,17,26H,10-15H2,1-2H3,(H,28,31)