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

Systemtic Name: 3-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C21H21N4O2S- MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-3-14-11-8-12-15(4-2)18(14)22-17(26)13-28-21-23-20(27)19(24-25-21)16-9-6-5-7-10-16/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,25,27)/p-1