S-(1-methyl-1,2,3,4-tetrazol-5-yl) benzenecarbothioate

Systemtic Name: S-(1-methyl-1,2,3,4-tetrazol-5-yl) benzenecarbothioate Openeye Name: S-(1-methyltetrazol-5-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(1-methyl-5-tetrazolyl) ester IUPAC Name: S-(1-methyltetrazol-5-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(1-methyltetrazol-5-yl) ester Formula: C9H8N4OS MolecularWeight: 220.25102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C9H8N4OS/c1-13-9(10-11-12-13)15-8(14)7-5-3-2-4-6-7/h2-6H,1H3