3-(4-bromanylpyrazol-1-yl)-2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-2-methyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3S/c1-13-3-5-18(6-4-13)29-19-8-16(7-17(9-19)25(27)28)23-20(26)14(2)11-24-12-15(21)10-22-24/h3-10,12,14H,11H2,1-2H3,(H,23,26)