3-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoylamino]benzoic acid

Systemtic Name: 3-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoylamino]benzoic acid Openeye Name: 3-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[3-[(1-methyl-5-tetrazolyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[3-[(1-methyltetrazol-5-yl)thio]propanoylamino]benzoic acid Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCCC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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