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

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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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)N3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C=N3)Br

InChI

InChI=1S/C19H17BrN4O3S/c1-12-3-5-17(6-4-12)28-18-8-15(7-16(9-18)24(26)27)22-19(25)13(2)23-11-14(20)10-21-23/h3-11,13H,1-2H3,(H,22,25)