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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(3-thienylmethylsulfanyl)phenyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(3-thiophenylmethylthio)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(3-thenylthio)phenyl]benzamide Formula: C24H22N4O3S2 MolecularWeight: 478.58648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCC4=CSC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SCC4=CSC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S2/c1-16-23(28(30)31)17(2)27(26-16)13-18-7-9-20(10-8-18)24(29)25-21-5-3-4-6-22(21)33-15-19-11-12-32-14-19/h3-12,14H,13,15H2,1-2H3,(H,25,29)