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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(phenylthio)ethyl]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCSC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

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