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

Systemtic Name: 1-(4-butylphenyl)-3-[(2-hydroxyphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-hydroxyanilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-hydroxyanilino)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-hydroxyanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(2-hydroxyanilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C27H26N2O3S MolecularWeight: 458.57194

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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=CC=C4O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)NC4=CC=CC=C4O

InChI

InChI=1S/C27H26N2O3S/c1-3-4-7-19-12-14-20(15-13-19)29-26(31)24(28-22-8-5-6-9-23(22)30)25(27(29)32)33-21-16-10-18(2)11-17-21/h5-6,8-17,28,30H,3-4,7H2,1-2H3