4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-(1-morpholin-4-ylethylsulfanyl)-5-oxidanylidene-1H-pyrrole-3-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-(1-morpholin-4-ylethylsulfanyl)-5-oxidanylidene-1H-pyrrole-3-carbonitrile Openeye Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-(1-morpholinoethylsulfanyl)-5-oxo-1H-pyrrole-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-[1-(4-morpholinyl)ethylthio]-5-oxo-1H-pyrrole-3-carbonitrile IUPAC Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-2-(1-morpholin-4-ylethylsulfanyl)-5-oxo-1H-pyrrole-3-carbonitrile Traditional Name: 4-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-5-keto-2-(1-morpholinoethylthio)-2-pyrroline-3-carbonitrile Formula: C25H27ClN4O2S MolecularWeight: 483.02548

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCOCC1)SC2=C(C(C(=O)N2)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC(N1CCOCC1)SC2=C(C(C(=O)N2)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C25H27ClN4O2S/c1-17(30-12-14-32-15-13-30)33-23-22(16-27)25(24(31)28-23,18-4-8-20(26)9-5-18)19-6-10-21(11-7-19)29(2)3/h4-11,17H,12-15H2,1-3H3,(H,28,31)