methyl 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(1-phenyl-5-tetrazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(1-phenyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O2S/c1-22-15(21)13-7-5-6-12(10-13)11-23-16-17-18-19-20(16)14-8-3-2-4-9-14/h2-10H,11H2,1H3