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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoic acid Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid Formula: C9H7N5O4S MolecularWeight: 281.24798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O4S/c1-13-9(10-11-12-13)19-7-3-2-5(8(15)16)4-6(7)14(17)18/h2-4H,1H3,(H,15,16)