3-[(3-chloranyl-4-methyl-phenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(3-chloro-4-methyl-anilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(3-chloro-4-methylanilino)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(3-chloro-4-methylanilino)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(3-chloro-4-methyl-anilino)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C25H23ClN4O2S MolecularWeight: 478.99372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C)Cl

InChI

InChI=1S/C25H23ClN4O2S/c1-15-9-10-19(14-20(15)26)29-21-22(33-25-27-16(2)13-17(3)28-25)24(32)30(23(21)31)12-11-18-7-5-4-6-8-18/h4-10,13-14,29H,11-12H2,1-3H3