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

Systemtic Name: 1-(4-butylphenyl)-3-[(4-butylphenyl)amino]-4-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-(phenylthio)pyrrole-2,5-dione IUPAC Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-phenylsulfanylpyrrole-2,5-dione Traditional Name: 3-(4-butylanilino)-1-(4-butylphenyl)-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C30H32N2O2S MolecularWeight: 484.65228

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O2S/c1-3-5-10-22-14-18-24(19-15-22)31-27-28(35-26-12-8-7-9-13-26)30(34)32(29(27)33)25-20-16-23(17-21-25)11-6-4-2/h7-9,12-21,31H,3-6,10-11H2,1-2H3