ethyl 6-propyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-propyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-propyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-propyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-propyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-propyl-2-thioxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19F3N2O2S MolecularWeight: 372.40517

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C17H19F3N2O2S/c1-3-7-12-13(15(23)24-4-2)14(22-16(25)21-12)10-8-5-6-9-11(10)17(18,19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,21,22,25)