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

Systemtic Name: 3-[(4-bromophenyl)amino]-1-(4-butylphenyl)-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H25BrN2O2S MolecularWeight: 521.4686

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrN2O2S/c1-3-4-5-19-8-14-22(15-9-19)30-26(31)24(29-21-12-10-20(28)11-13-21)25(27(30)32)33-23-16-6-18(2)7-17-23/h6-17,29H,3-5H2,1-2H3