4-nitro-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide

Systemtic Name: 4-nitro-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: 4-nitro-N-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: 4-nitro-N-[3-(2-pyrazinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide IUPAC Name: 4-nitro-N-(3-pyrazin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: 4-nitro-N-(3-pyrazin-2-yl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide Formula: C13H9N7O3S MolecularWeight: 343.32066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NN2C(=NNC2=S)C3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NN2C(=NNC2=S)C3=NC=CN=C3)[N+](=O)[O-]

InChI

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