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

Systemtic Name: 2-[[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propylazaniumyl]methyl]benzoate Openeye Name: 2-[[3-(1-phenyltetrazol-5-yl)sulfanylpropylammonio]methyl]benzoate CAS Name: 2-[[3-[(1-phenyl-5-tetrazolyl)thio]propylammonio]methyl]benzoate IUPAC Name: 2-[[3-(1-phenyltetrazol-5-yl)sulfanylpropylazaniumyl]methyl]benzoate Traditional Name: 2-[[3-[(1-phenyltetrazol-5-yl)thio]propylammonio]methyl]benzoate Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCC[NH2+]CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCC[NH2+]CC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H19N5O2S/c24-17(25)16-10-5-4-7-14(16)13-19-11-6-12-26-18-20-21-22-23(18)15-8-2-1-3-9-15/h1-5,7-10,19H,6,11-13H2,(H,24,25)