methyl N-[5-cyano-6-[(5-cyano-6-ethanoylimino-3-isocyano-1-oxidanyl-pyrazin-2-yl)disulfanyl]-3-isocyano-1-oxidanidyl-pyrazin-1-ium-2-yl]methanimidate

Systemtic Name: methyl N-[5-cyano-6-[(5-cyano-6-ethanoylimino-3-isocyano-1-oxidanyl-pyrazin-2-yl)disulfanyl]-3-isocyano-1-oxidanidyl-pyrazin-1-ium-2-yl]methanimidate Openeye Name: methyl N-[6-[(6-acetylimino-5-cyano-1-hydroxy-3-isocyano-pyrazin-2-yl)disulfanyl]-5-cyano-3-isocyano-1-oxido-pyrazin-1-ium-2-yl]methanimidate CAS Name: N-[6-[(6-acetylimino-5-cyano-1-hydroxy-3-isocyano-2-pyrazinyl)disulfanyl]-5-cyano-3-isocyano-1-oxido-2-pyrazin-1-iumyl]methanimidic acid methyl ester IUPAC Name: methyl N-[6-[(6-acetylimino-5-cyano-1-hydroxy-3-isocyanopyrazin-2-yl)disulfanyl]-5-cyano-3-isocyano-1-oxidopyrazin-1-ium-2-yl]methanimidate Traditional Name: N-[6-[(6-acetylimino-5-cyano-1-hydroxy-3-isocyano-pyrazin-2-yl)disulfanyl]-5-cyano-3-isocyano-1-oxido-pyrazin-1-ium-2-yl]formimidic acid methyl ester Formula: C16H8N10O4S2 MolecularWeight: 468.42932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1C(=NC(=C(N1O)SSC2=C(N=C(C(=[N+]2[O-])N=COC)[N+]#[C-])C#N)[N+]#[C-])C#N

Isomeric SMILES

CC(=O)N=C1C(=NC(=C(N1O)SSC2=C(N=C(C(=[N+]2[O-])N=COC)[N+]#[C-])C#N)[N+]#[C-])C#N

InChI

InChI=1S/C16H8N10O4S2/c1-8(27)22-13-9(5-17)23-12(20-3)16(25(13)28)32-31-15-10(6-18)24-11(19-2)14(26(15)29)21-7-30-4/h7,28H,1,4H3