methyl 6-(2-chloranyl-5-nitro-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(2-chloranyl-5-nitro-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(2-chloro-5-nitro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-5-nitrophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloro-5-nitrophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chloro-5-nitro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C14H14ClN3O4S/c1-7-11(13(19)22-3)12(16-14(23)17(7)2)9-6-8(18(20)21)4-5-10(9)15/h4-6,12H,1-3H3,(H,16,23)