methyl 3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-fluoro-4-methylphenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-fluoro-4-methylphenyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC)C)F

InChI

InChI=1S/C20H18FN3O4S/c1-11-8-9-13(10-15(11)21)23-12(2)17(19(25)28-3)18(22-20(23)29)14-6-4-5-7-16(14)24(26)27/h4-10,18H,1-3H3,(H,22,29)