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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=C(C(=CC=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NC4=C(C(=CC=C4)Cl)C)C

InChI

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