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

Systemtic Name: 1-(4-butylphenyl)-3-[(3-chloranyl-2-methyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3-chloro-2-methyl-anilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3-chloro-2-methylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3-chloro-2-methylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3-chloro-2-methyl-anilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H27ClN2O2S MolecularWeight: 491.04418

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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=C(C(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O2S/c1-4-5-7-20-12-14-21(15-13-20)31-27(32)25(30-24-9-6-8-23(29)19(24)3)26(28(31)33)34-22-16-10-18(2)11-17-22/h6,8-17,30H,4-5,7H2,1-3H3