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

Systemtic Name: 3-[(4-chloranyl-2-methyl-phenyl)amino]-4-(4-methylphenyl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4-chloro-2-methyl-anilino)-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 3-(4-chloro-2-methylanilino)-4-[(4-methylphenyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4-chloro-2-methylanilino)-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(4-chloro-2-methyl-anilino)-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C25H21ClN2O2S MolecularWeight: 448.96444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)CC3=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)CC3=CC=CC=C3)NC4=C(C=C(C=C4)Cl)C

InChI

InChI=1S/C25H21ClN2O2S/c1-16-8-11-20(12-9-16)31-23-22(27-21-13-10-19(26)14-17(21)2)24(29)28(25(23)30)15-18-6-4-3-5-7-18/h3-14,27H,15H2,1-2H3