3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C12H17N4O2S- MolecularWeight: 281.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)N2CCCCCC2)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)N2CCCCCC2)[O-]

InChI

InChI=1S/C12H18N4O2S/c1-9-11(18)13-12(15-14-9)19-8-10(17)16-6-4-2-3-5-7-16/h2-8H2,1H3,(H,13,15,18)/p-1