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

Systemtic Name: 3-[(4-bromophenyl)amino]-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-(4-chlorophenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-bromoanilino)-1-(4-butylphenyl)-4-[(4-chlorophenyl)thio]-3-pyrroline-2,5-quinone Formula: C26H22BrClN2O2S MolecularWeight: 541.88708

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrClN2O2S/c1-2-3-4-17-5-13-21(14-6-17)30-25(31)23(29-20-11-7-18(27)8-12-20)24(26(30)32)33-22-15-9-19(28)10-16-22/h5-16,29H,2-4H2,1H3