2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)-N-[2-(phenylthio)phenyl]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-14(13-23-15(2)12-19(22-23)24(26)27)20(25)21-17-10-6-7-11-18(17)28-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3,(H,21,25)