sodium 4-(5-sulfanylidene-1,4-dihydro-1,2,3-triazol-4-yl)benzoate

Systemtic Name: sodium 4-(5-sulfanylidene-1,4-dihydro-1,2,3-triazol-4-yl)benzoate Openeye Name: sodium 4-(5-thioxo-1,4-dihydrotriazol-4-yl)benzoate CAS Name: sodium 4-(5-sulfanylidene-1,4-dihydrotriazol-4-yl)benzoate IUPAC Name: sodium 4-(5-sulfanylidene-1,4-dihydrotriazol-4-yl)benzoate Traditional Name: sodium 4-(5-thioxo-1,4-dihydrotriazol-4-yl)benzoate Formula: C9H6N3NaO2S MolecularWeight: 243.21761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=S)NN=N2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2C(=S)NN=N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H7N3O2S.Na/c13-9(14)6-3-1-5(2-4-6)7-8(15)11-12-10-7;/h1-4,7H,(H,13,14)(H,10,11,15);/q;+1/p-1