4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-prop-2-enylsulfanylphenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-prop-2-enylsulfanylphenyl)benzamide Openeye Name: N-(2-allylsulfanylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(prop-2-enylthio)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-prop-2-enylsulfanylphenyl)benzamide Traditional Name: N-[2-(allylthio)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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=C3SCC=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-4-13-30-20-8-6-5-7-19(20)23-22(27)18-11-9-17(10-12-18)14-25-16(3)21(26(28)29)15(2)24-25/h4-12H,1,13-14H2,2-3H3,(H,23,27)