4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(methylthio)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-methylsulfanylphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(methylthio)phenyl]benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)SC)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-13-19(24(26)27)14(2)23(22-13)12-15-7-9-16(10-8-15)20(25)21-17-5-4-6-18(11-17)28-3/h4-11H,12H2,1-3H3,(H,21,25)