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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-[(3,4-dimethylphenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dimethylanilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dimethylanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(3,4-dimethylanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(3,4-dimethylanilino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C26H23ClN2O2S/c1-17-8-11-21(16-18(17)2)28-23-24(32-22-12-9-20(27)10-13-22)26(31)29(25(23)30)15-14-19-6-4-3-5-7-19/h3-13,16,28H,14-15H2,1-2H3