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

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-(4-bromopyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-(4-bromo-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-(4-bromopyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-(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)CCN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C=N3)Br

InChI

InChI=1S/C19H17BrN4O3S/c1-13-2-4-17(5-3-13)28-18-9-15(8-16(10-18)24(26)27)22-19(25)6-7-23-12-14(20)11-21-23/h2-5,8-12H,6-7H2,1H3,(H,22,25)