1-(4-butylphenyl)-3-[(3-chlorophenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-[(3-chlorophenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3-chloroanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3-chloroanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3-chloroanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3-chloroanilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H25ClN2O2S MolecularWeight: 477.0176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H25ClN2O2S/c1-3-4-6-19-11-13-22(14-12-19)30-26(31)24(29-21-8-5-7-20(28)17-21)25(27(30)32)33-23-15-9-18(2)10-16-23/h5,7-17,29H,3-4,6H2,1-2H3