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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C15H18N4O3S MolecularWeight: 334.39342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC=CC=C2SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC=CC=C2SC)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-9-14(19(21)22)10(2)18(17-9)11(3)15(20)16-12-7-5-6-8-13(12)23-4/h5-8,11H,1-4H3,(H,16,20)