S-(1,3-benzoxazol-2-yl) 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carbothioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carbothioate Openeye Name: S-(1,3-benzoxazol-2-yl) 4-chloro-2-methylsulfanyl-pyrimidine-5-carbothioate CAS Name: 4-chloro-2-(methylthio)-5-pyrimidinecarbothioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) 4-chloro-2-methylsulfanylpyrimidine-5-carbothioate Traditional Name: 4-chloro-2-(methylthio)pyrimidine-5-carbothioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C13H8ClN3O2S2 MolecularWeight: 337.80452

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)Cl)C(=O)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CSC1=NC=C(C(=N1)Cl)C(=O)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H8ClN3O2S2/c1-20-12-15-6-7(10(14)17-12)11(18)21-13-16-8-4-2-3-5-9(8)19-13/h2-6H,1H3