N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrazine-2-carboxamide

Systemtic Name: N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrazine-2-carboxamide Openeye Name: N-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide CAS Name: N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide IUPAC Name: N-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyrazine-2-carboxamide Traditional Name: N-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazinamide Formula: C12H9N7OS MolecularWeight: 299.31116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NNC(=S)N2NC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CN=CC=C1C2=NNC(=S)N2NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C12H9N7OS/c20-11(9-7-14-5-6-15-9)18-19-10(16-17-12(19)21)8-1-3-13-4-2-8/h1-7H,(H,17,21)(H,18,20)