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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(3,4-dimethylphenyl)sulfanylethyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-(3,4-dimethylphenyl)sulfanylethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-[(3,4-dimethylphenyl)thio]ethyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(3,4-dimethylphenyl)sulfanylethyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[2-[(3,4-dimethylphenyl)thio]ethyl]benzamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-15-5-10-21(13-16(15)2)31-12-11-24-23(28)20-8-6-19(7-9-20)14-26-18(4)22(27(29)30)17(3)25-26/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)