5-methyl-4-sulfanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-sulfanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-thioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-sulfanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-sulfanylidene-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-thioxo-2-[3-(trifluoromethyl)benzyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H11F3N2O2S2 MolecularWeight: 384.39595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=S)NC(=N2)CC3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=S)NC(=N2)CC3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H11F3N2O2S2/c1-7-11-13(24)20-10(21-14(11)25-12(7)15(22)23)6-8-3-2-4-9(5-8)16(17,18)19/h2-5H,6H2,1H3,(H,22,23)(H,20,21,24)