4-(4-bromophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(4-bromophenyl)-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(4-bromophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(4-bromophenyl)-3-ethyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(4-bromophenyl)-3-ethyl-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C14H15BrN2O2S MolecularWeight: 355.2501

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(C(=C(NC1=S)C)C(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H15BrN2O2S/c1-3-17-12(9-4-6-10(15)7-5-9)11(13(18)19)8(2)16-14(17)20/h4-7,12H,3H2,1-2H3,(H,16,20)(H,18,19)