methyl 3-(3-bromophenyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(3-bromophenyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(3-bromophenyl)-4-methyl-6-(2-methylthiazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(3-bromophenyl)-4-methyl-6-(2-methyl-4-thiazolyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-bromophenyl)-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(3-bromophenyl)-4-methyl-6-(2-methylthiazol-4-yl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CSC(=N3)C)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC(=CC=C2)Br)C3=CSC(=N3)C)C(=O)OC

InChI

InChI=1S/C17H16BrN3O2S2/c1-9-14(16(22)23-3)15(13-8-25-10(2)19-13)20-17(24)21(9)12-6-4-5-11(18)7-12/h4-8,15H,1-3H3,(H,20,24)