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

Systemtic Name: 1-(4-butylphenyl)-3-[(3-chloranyl-4-methyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(3-chloro-4-methyl-anilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(3-chloro-4-methylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(3-chloro-4-methylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(3-chloro-4-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=CC(=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O2S/c1-4-5-6-20-10-13-22(14-11-20)31-27(32)25(30-21-12-9-19(3)24(29)17-21)26(28(31)33)34-23-15-7-18(2)8-16-23/h7-17,30H,4-6H2,1-3H3