1-(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-azanyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone CAS Name: 1-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-amino-2-oxido-furazan-2-ium-3-yl)-2-[(6-phenyl-1,2,4-triazin-3-yl)thio]ethanone Formula: C13H10N6O3S MolecularWeight: 330.3219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=N2)SCC(=O)C3=[N+](ON=C3N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=N2)SCC(=O)C3=[N+](ON=C3N)[O-]

InChI

InChI=1S/C13H10N6O3S/c14-12-11(19(21)22-18-12)10(20)7-23-13-15-6-9(16-17-13)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,18)