3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,2,4-triazin-5-olate Formula: C11H15N4O2S- MolecularWeight: 267.3274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=CN=N2)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=CN=N2)[O-]

InChI

InChI=1S/C11H16N4O2S/c16-9-6-12-15-11(14-9)18-7-10(17)13-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,13,17)(H,14,15,16)/p-1