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

Systemtic Name: 3-[[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: 3-[[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 3-[[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]methyl]benzoate IUPAC Name: 3-[[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 3-[[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]methyl]benzoate Formula: C12H12N5O3S- MolecularWeight: 306.32038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H13N5O3S/c1-17-12(14-15-16-17)21-7-10(18)13-6-8-3-2-4-9(5-8)11(19)20/h2-5H,6-7H2,1H3,(H,13,18)(H,19,20)/p-1