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

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(3-methylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(3-methylanilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(3-methylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(3-methylanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(m-toluidino)-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)Cl)NC4=CC=CC(=C4)C

Isomeric SMILES

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

InChI

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