3-(4-fluorophenyl)propyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-(4-fluorophenyl)propyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(4-fluorophenyl)propyl 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(4-fluorophenyl)propyl ester IUPAC Name: 3-(4-fluorophenyl)propyl 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(4-fluorophenyl)propyl ester Formula: C16H18F2N2O2S MolecularWeight: 340.388126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H18F2N2O2S/c1-10-14(13(9-17)20-16(23)19-10)15(21)22-8-2-3-11-4-6-12(18)7-5-11/h4-7,13H,2-3,8-9H2,1H3,(H2,19,20,23)