4-bromanyl-1-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-ethyl-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 4-bromo-1-ethyl-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-ethyl-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-ethyl-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC(=CC(=C2)SC3=CC=C(C=C3)C)[N+](=O)[O-])Br

InChI

InChI=1S/C19H17BrN4O3S/c1-3-23-11-17(20)18(22-23)19(25)21-13-8-14(24(26)27)10-16(9-13)28-15-6-4-12(2)5-7-15/h4-11H,3H2,1-2H3,(H,21,25)