1-(3-chlorophenyl)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 1-(3-chlorophenyl)-3-phenylsulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(4-isopropylanilino)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(phenylthio)-4-(4-propan-2-ylanilino)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-phenylsulfanyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-cumidino-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O2S MolecularWeight: 448.96444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O2S/c1-16(2)17-11-13-19(14-12-17)27-22-23(31-21-9-4-3-5-10-21)25(30)28(24(22)29)20-8-6-7-18(26)15-20/h3-16,27H,1-2H3