3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C22H23BrN4O3S/c1-13-5-7-19(8-6-13)31-20-10-17(9-18(11-20)27(29)30)24-22(28)14(2)12-26-16(4)21(23)15(3)25-26/h5-11,14H,12H2,1-4H3,(H,24,28)