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

Systemtic Name: methyl 4-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]methyl]benzoic acid methyl ester Formula: C16H15N4O2S+ MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=[N+](NN=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=[N+](NN=N2)C3=CC=CC=C3

InChI

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