3-[(4-chloranyl-2-methyl-phenyl)amino]-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-[(4-chloranyl-2-methyl-phenyl)amino]-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-chloro-2-methyl-anilino)-1-(4-isopropylphenyl)-4-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 3-(4-chloro-2-methylanilino)-4-(phenylthio)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chloro-2-methylanilino)-4-phenylsulfanyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-chloro-2-methyl-anilino)-1-p-cumenyl-4-(phenylthio)-3-pyrroline-2,5-quinone Formula: C26H23ClN2O2S MolecularWeight: 462.99102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN2O2S/c1-16(2)18-9-12-20(13-10-18)29-25(30)23(28-22-14-11-19(27)15-17(22)3)24(26(29)31)32-21-7-5-4-6-8-21/h4-16,28H,1-3H3