N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-15-20(16(2)24(23-15)13-17-6-4-3-5-7-17)12-22-21(26)14-29-19-10-8-18(9-11-19)25(27)28/h3-11H,12-14H2,1-2H3,(H,22,26)