ethyl 4-(3-nitrophenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-nitrophenyl)-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H12F3N3O4S MolecularWeight: 375.32299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H12F3N3O4S/c1-2-24-12(21)9-10(7-4-3-5-8(6-7)20(22)23)18-13(25)19-11(9)14(15,16)17/h3-6,10H,2H2,1H3,(H2,18,19,25)