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

Systemtic Name: S-(phenylmethyl) 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Openeye Name: S-benzyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-benzyl ester Formula: C13H14N2OS2 MolecularWeight: 278.39306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2OS2/c1-9-11(7-14-13(17)15-9)12(16)18-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,14,15,17)