3-[(4-chloranyl-2-methyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-[(4-chloranyl-2-methyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4-chloro-2-methyl-anilino)-1-phenethyl-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(4-chloro-2-methylanilino)-4-[(4-methylphenyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4-chloro-2-methylanilino)-4-(4-methylphenyl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(4-chloro-2-methyl-anilino)-1-phenethyl-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=C(C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=C(C=C(C=C4)Cl)C

InChI

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