S-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl] benzenecarbothioate

Systemtic Name: S-[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl] benzenecarbothioate Openeye Name: S-[1-(2,6-dimethylphenyl)tetrazol-5-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(2,6-dimethylphenyl)-5-tetrazolyl] ester IUPAC Name: S-[1-(2,6-dimethylphenyl)tetrazol-5-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(2,6-dimethylphenyl)tetrazol-5-yl] ester Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4OS/c1-11-7-6-8-12(2)14(11)20-16(17-18-19-20)22-15(21)13-9-4-3-5-10-13/h3-10H,1-2H3