N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyridine-4-carboxamide

Systemtic Name: N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyridine-4-carboxamide Openeye Name: N-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)pyridine-4-carboxamide CAS Name: N-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-pyridinecarboxamide IUPAC Name: N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pyridine-4-carboxamide Traditional Name: N-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)isonicotinamide Formula: C12H9N7OS MolecularWeight: 299.31116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NN2C(=NNC2=S)C3=NC=CN=C3

Isomeric SMILES

C1=CN=CC=C1C(=O)NN2C(=NNC2=S)C3=NC=CN=C3

InChI

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