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

Systemtic Name: 3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C16H19N4O2S- MolecularWeight: 331.41266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(N=N2)C)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(N=N2)C)[O-]

InChI

InChI=1S/C16H20N4O2S/c1-4-11-7-6-8-12(5-2)14(11)17-13(21)9-23-16-18-15(22)10(3)19-20-16/h6-8H,4-5,9H2,1-3H3,(H,17,21)(H,18,20,22)/p-1