S-[(1-methylpyrazol-4-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(1-methylpyrazol-4-yl)methyl] benzenecarbothioate Openeye Name: S-[(1-methylpyrazol-4-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1-methyl-4-pyrazolyl)methyl] ester IUPAC Name: S-[(1-methylpyrazol-4-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1-methylpyrazol-4-yl)methyl] ester Formula: C12H12N2OS MolecularWeight: 232.30148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C=C(C=N1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2OS/c1-14-8-10(7-13-14)9-16-12(15)11-5-3-2-4-6-11/h2-8H,9H2,1H3