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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2C=NNC2=S.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2C=NNC2=S.[Na+]

InChI

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