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

Systemtic Name: methyl 4-[5-(phenylmethylsulfanyl)-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: methyl 4-(5-benzylsulfanyltetrazol-1-yl)benzoate CAS Name: 4-[5-(phenylmethylthio)-1-tetrazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-(5-benzylsulfanyltetrazol-1-yl)benzoate Traditional Name: 4-[5-(benzylthio)tetrazol-1-yl]benzoic acid methyl ester Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC=C3

InChI

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