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

Systemtic Name: 4-(4-dimethylaminophenyl)-2-(3-morpholin-4-ylpropylsulfanyl)-5-oxidanylidene-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-dimethylaminophenyl)-2-(3-morpholinopropylsulfanyl)-5-oxo-4-(3-pyridyl)-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-2-[3-(4-morpholinyl)propylthio]-5-oxo-4-(3-pyridinyl)-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-dimethylaminophenyl)-2-(3-morpholin-4-ylpropylsulfanyl)-5-oxo-4-pyridin-3-yl-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-dimethylaminophenyl)-5-keto-2-(3-morpholinopropylthio)-4-(3-pyridyl)-2-pyrroline-3-carbonitrile Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCCN3CCOCC3)C#N)C4=CN=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SCCCN3CCOCC3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C25H29N5O2S/c1-29(2)21-8-6-19(7-9-21)25(20-5-3-10-27-18-20)22(17-26)23(28-24(25)31)33-16-4-11-30-12-14-32-15-13-30/h3,5-10,18H,4,11-16H2,1-2H3,(H,28,31)