methyl 2-methylsulfanyl-5-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: methyl 2-methylsulfanyl-5-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: methyl 2-methylsulfanyl-5-(tetrazol-1-yl)benzoate CAS Name: 2-(methylthio)-5-(1-tetrazolyl)benzoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-5-(tetrazol-1-yl)benzoate Traditional Name: 2-(methylthio)-5-(tetrazol-1-yl)benzoic acid methyl ester Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2C=NN=N2)SC

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2C=NN=N2)SC

InChI

InChI=1S/C10H10N4O2S/c1-16-10(15)8-5-7(3-4-9(8)17-2)14-6-11-12-13-14/h3-6H,1-2H3