3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(cyclohexylamino)-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C17H19N4O2S- MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H20N4O2S/c22-14(18-13-9-5-2-6-10-13)11-24-17-19-16(23)15(20-21-17)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,18,22)(H,19,21,23)/p-1