2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-acetamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N(C)CC(=O)NC2=CC=CC=C2SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N(C)CC(=O)NC2=CC=CC=C2SC)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-11-17(22(25)26)12(2)21(19-11)10-16(24)20(3)9-15(23)18-13-7-5-6-8-14(13)27-4/h5-8H,9-10H2,1-4H3,(H,18,23)