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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c1-16-21(26(28)29)17(2)25(24-16)14-18-8-10-20(11-9-18)22(27)23-12-13-30-15-19-6-4-3-5-7-19/h3-11H,12-15H2,1-2H3,(H,23,27)