S-(1,3-benzoxazol-2-ylmethyl) 3,5-dimethylpyrazole-1-carbothioate

Systemtic Name: S-(1,3-benzoxazol-2-ylmethyl) 3,5-dimethylpyrazole-1-carbothioate Openeye Name: S-(1,3-benzoxazol-2-ylmethyl) 3,5-dimethylpyrazole-1-carbothioate CAS Name: 3,5-dimethyl-1-pyrazolecarbothioic acid S-(1,3-benzoxazol-2-ylmethyl) ester IUPAC Name: S-(1,3-benzoxazol-2-ylmethyl) 3,5-dimethylpyrazole-1-carbothioate Traditional Name: 3,5-dimethylpyrazole-1-carbothioic acid S-(1,3-benzoxazol-2-ylmethyl) ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)SCC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=NN1C(=O)SCC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C14H13N3O2S/c1-9-7-10(2)17(16-9)14(18)20-8-13-15-11-5-3-4-6-12(11)19-13/h3-7H,8H2,1-2H3