1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(phenylthio)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(phenylthio)phenyl]pyrazole-3-carboxamide Formula: C22H20N6O3S MolecularWeight: 448.4976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3S/c1-15-21(28(30)31)16(2)27(24-15)14-26-13-12-19(25-26)22(29)23-18-10-6-7-11-20(18)32-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,23,29)