N-(2-methylsulfanylphenyl)-5-nitro-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-5-nitro-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-N-(2-methylsulfanylphenyl)-5-nitro-pyrazole-3-carboxamide CAS Name: N-[2-(methylthio)phenyl]-5-nitro-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-N-(2-methylsulfanylphenyl)-5-nitropyrazole-3-carboxamide Traditional Name: 2-benzyl-N-[2-(methylthio)phenyl]-5-nitro-pyrazole-3-carboxamide Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CC(=NN2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c1-26-16-10-6-5-9-14(16)19-18(23)15-11-17(22(24)25)20-21(15)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,23)