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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[phenyl(thiophen-2-yl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[phenyl(2-thienyl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[phenyl(thiophen-2-yl)methyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[phenyl(thiophen-2-yl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[phenyl(2-thienyl)methyl]benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CS4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=CS4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S/c1-16-23(28(30)31)17(2)27(26-16)15-18-10-12-20(13-11-18)24(29)25-22(21-9-6-14-32-21)19-7-4-3-5-8-19/h3-14,22H,15H2,1-2H3,(H,25,29)