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

Systemtic Name: 4-[[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethylazaniumyl]methyl]benzoate Openeye Name: 4-[[2-(1-phenyltetrazol-5-yl)sulfanylethylammonio]methyl]benzoate CAS Name: 4-[[2-[(1-phenyl-5-tetrazolyl)thio]ethylammonio]methyl]benzoate IUPAC Name: 4-[[2-(1-phenyltetrazol-5-yl)sulfanylethylazaniumyl]methyl]benzoate Traditional Name: 4-[[2-[(1-phenyltetrazol-5-yl)thio]ethylammonio]methyl]benzoate Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H17N5O2S/c23-16(24)14-8-6-13(7-9-14)12-18-10-11-25-17-19-20-21-22(17)15-4-2-1-3-5-15/h1-9,18H,10-12H2,(H,23,24)