[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenyl]methyl ester IUPAC Name: [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]methyl ester Formula: C16H15F3N4O2S2 MolecularWeight: 416.44111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(S2)C3=NN(C(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC=C(S2)C3=NN(C(=C3)C(F)(F)F)C

InChI

InChI=1S/C16H15F3N4O2S2/c1-8-10(6-20-15(26)21-8)14(24)25-7-9-3-4-12(27-9)11-5-13(16(17,18)19)23(2)22-11/h3-5H,6-7H2,1-2H3,(H2,20,21,26)