6-[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate

Systemtic Name: 6-[2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate Openeye Name: 6-[2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]phenyl]-3-thioxo-2H-1,2,4-triazin-5-olate CAS Name: 6-[2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate IUPAC Name: 6-[2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]phenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-olate Traditional Name: 6-[2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]phenyl]-3-thioxo-2H-1,2,4-triazin-5-olate Formula: C16H14N7O4S- MolecularWeight: 400.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C3=NNC(=S)N=C3[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C3=NNC(=S)N=C3[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O4S/c1-8-14(23(26)27)9(2)22(21-8)7-12(24)17-11-6-4-3-5-10(11)13-15(25)18-16(28)20-19-13/h3-6H,7H2,1-2H3,(H,17,24)(H2,18,20,25,28)/p-1