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

Systemtic Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-[(4-propan-2-ylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-isopropylanilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-(4-propan-2-ylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-(4-chlorophenyl)sulfanyl-4-(4-propan-2-ylanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[(4-chlorophenyl)thio]-4-cumidino-3-pyrroline-2,5-quinone Formula: C29H29ClN2O2S MolecularWeight: 505.07076

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN2O2S/c1-4-5-6-20-7-15-24(16-8-20)32-28(33)26(31-23-13-9-21(10-14-23)19(2)3)27(29(32)34)35-25-17-11-22(30)12-18-25/h7-19,31H,4-6H2,1-3H3