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

Systemtic Name: 6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C11H15N4O3S- MolecularWeight: 283.3268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=NC2=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=NC2=O)[O-]

InChI

InChI=1S/C11H16N4O3S/c16-8(15-5-3-1-2-4-6-15)7-19-10-9(17)12-11(18)14-13-10/h1-7H2,(H2,12,14,17,18)/p-1