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

Systemtic Name: 1-(4-butylphenyl)-3-[(5-methyl-2-oxidanyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methyl-anilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methylanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methyl-anilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O3S MolecularWeight: 472.59852

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-4-5-6-20-10-12-21(13-11-20)30-27(32)25(29-23-17-19(3)9-16-24(23)31)26(28(30)33)34-22-14-7-18(2)8-15-22/h7-17,29,31H,4-6H2,1-3H3