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

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(4-ethylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-ethylanilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(4-ethylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-ethylanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(4-ethylanilino)-3-pyrroline-2,5-quinone Formula: C28H27ClN2O2S MolecularWeight: 491.04418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O2S/c1-3-5-6-20-9-15-23(16-10-20)31-27(32)25(30-22-13-7-19(4-2)8-14-22)26(28(31)33)34-24-17-11-21(29)12-18-24/h7-18,30H,3-6H2,1-2H3