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

Systemtic Name: 1-(4-butylphenyl)-3-[(2,5-dimethoxyphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(2,5-dimethoxyanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-(2,5-dimethoxyanilino)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(2,5-dimethoxyanilino)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-(2,5-dimethoxyanilino)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C28H28N2O4S MolecularWeight: 488.59792

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O4S/c1-4-5-9-19-12-14-20(15-13-19)30-27(31)25(26(28(30)32)35-22-10-7-6-8-11-22)29-23-18-21(33-2)16-17-24(23)34-3/h6-8,10-18,29H,4-5,9H2,1-3H3