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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-[(4-methylphenyl)thio]ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(p-tolylthio)ethyl]benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O3S/c1-15-4-10-20(11-5-15)30-13-12-23-22(27)19-8-6-18(7-9-19)14-25-17(3)21(26(28)29)16(2)24-25/h4-11H,12-14H2,1-3H3,(H,23,27)