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

Systemtic Name: N-[3-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Openeye Name: N-[3-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide CAS Name: N-[3-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyrazine-2-carboxamide Traditional Name: N-[3-(4-nitrophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]pyrazinamide Formula: C13H9N7O3S MolecularWeight: 343.32066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=S)N2NC(=O)C3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=S)N2NC(=O)C3=NC=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N7O3S/c21-12(10-7-14-5-6-15-10)18-19-11(16-17-13(19)24)8-1-3-9(4-2-8)20(22)23/h1-7H,(H,17,24)(H,18,21)