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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)phenyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)phenyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)phenyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)phenyl]acetamide Formula: C16H15N7O4S MolecularWeight: 401.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C3=NNC(=S)NC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C3=NNC(=S)NC3=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)