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

Systemtic Name: 1-(4-butylphenyl)-3-[(5-methyl-2-oxidanyl-phenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methyl-anilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(2-hydroxy-5-methyl-anilino)-4-(phenylthio)-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=CC=C3)NC4=C(C=CC(=C4)C)O

Isomeric SMILES

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

InChI

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