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

Systemtic Name: 3-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-6-phenyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-6-phenyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]-6-phenyl-1,2,4-triazin-5-olate Formula: C22H19N6O3S- MolecularWeight: 447.48966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H20N6O3S/c1-14-18(21(31)28(27(14)2)16-11-7-4-8-12-16)23-17(29)13-32-22-24-20(30)19(25-26-22)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,23,29)(H,24,26,30)/p-1