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

Systemtic Name: S-phenethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Openeye Name: S-phenethyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-phenethyl ester Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S2/c1-10-13(12(9-18)17-15(20)16-10)14(19)21-8-7-11-5-3-2-4-6-11/h2-6,12,18H,7-9H2,1H3,(H2,16,17,20)