S-phenethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate

Systemtic Name: S-phenethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Openeye Name: S-phenethyl 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-phenethyl ester Formula: C15H17FN2OS2 MolecularWeight: 324.436683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)SCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)SCCC2=CC=CC=C2

InChI

InChI=1S/C15H17FN2OS2/c1-10-13(12(9-16)18-15(20)17-10)14(19)21-8-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H2,17,18,20)