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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C31H34N2O2S MolecularWeight: 498.67886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)CCCC)SC4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)CCCC)SC4=CC=C(C=C4)C

InChI

InChI=1S/C31H34N2O2S/c1-4-6-8-23-12-16-25(17-13-23)32-28-29(36-27-20-10-22(3)11-21-27)31(35)33(30(28)34)26-18-14-24(15-19-26)9-7-5-2/h10-21,32H,4-9H2,1-3H3