3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 3-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 3-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 3-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 3-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C13H8N5O2S- MolecularWeight: 298.29992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=NNC2=S)C3=NC=CN=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=NNC2=S)C3=NC=CN=C3)C(=O)[O-]

InChI

InChI=1S/C13H9N5O2S/c19-12(20)8-2-1-3-9(6-8)18-11(16-17-13(18)21)10-7-14-4-5-15-10/h1-7H,(H,17,21)(H,19,20)/p-1