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

Systemtic Name: 4-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 4-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 4-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 4-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C13H9N5O2S MolecularWeight: 299.30786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C3=NC=CN=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C3=NC=CN=C3

InChI

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