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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-4-[(2,3-dimethylphenyl)amino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-4-(2,3-dimethylanilino)-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-4-(2,3-dimethylanilino)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-4-(2,3-dimethylanilino)-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-4-(2,3-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(=CC=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C

Isomeric SMILES

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

InChI

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