4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(methylthio)phenyl]butyramide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2SC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S/c1-11-16(20(22)23)12(2)19(18-11)10-6-9-15(21)17-13-7-4-5-8-14(13)24-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,17,21)