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

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(2-methoxy-5-methyl-phenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-methoxy-5-methyl-anilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(2-methoxy-5-methylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(2-methoxy-5-methylanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(2-methoxy-5-methyl-anilino)-3-pyrroline-2,5-quinone Formula: C28H27ClN2O3S MolecularWeight: 507.04358

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=C(C=CC(=C4)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O3S/c1-4-5-6-19-8-12-21(13-9-19)31-27(32)25(30-23-17-18(2)7-16-24(23)34-3)26(28(31)33)35-22-14-10-20(29)11-15-22/h7-17,30H,4-6H2,1-3H3