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

Systemtic Name: 4-(4-dimethylaminophenyl)-5-oxidanylidene-2-(3-piperidin-1-ylpropylsulfanyl)-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-5-oxo-2-[3-(1-piperidyl)propylsulfanyl]-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-5-oxo-2-[3-(1-piperidinyl)propylthio]-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-5-oxo-2-(3-piperidin-1-ylpropylsulfanyl)-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-2-(3-piperidinopropylthio)-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCCN3CCCCC3)C#N)C4=CN=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCCN3CCCCC3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C26H31N5OS/c1-30(2)22-11-9-20(10-12-22)26(21-8-6-13-28-19-21)23(18-27)24(29-25(26)32)33-17-7-16-31-14-4-3-5-15-31/h6,8-13,19H,3-5,7,14-17H2,1-2H3,(H,29,32)