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

Systemtic Name: 1-(4-butylphenyl)-3-[(2,5-dimethylphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2,5-dimethylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2,5-dimethylanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2,5-dimethylanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(2,5-dimethylanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O2S MolecularWeight: 456.59912

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O2S/c1-4-5-9-21-14-16-22(17-15-21)30-27(31)25(29-24-18-19(2)12-13-20(24)3)26(28(30)32)33-23-10-7-6-8-11-23/h6-8,10-18,29H,4-5,9H2,1-3H3