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

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(cyclopentylthio)phenyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O3S/c1-16-23(28(30)31)17(2)27(26-16)15-18-11-13-19(14-12-18)24(29)25-21-9-5-6-10-22(21)32-20-7-3-4-8-20/h5-6,9-14,20H,3-4,7-8,15H2,1-2H3,(H,25,29)