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

Systemtic Name: 4,5-bis(bromanyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 4,5-dibromo-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide CAS Name: 4,5-dibromo-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 4,5-dibromo-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1H-pyrazole-3-carboxamide Traditional Name: 4,5-dibromo-N-[3-nitro-5-(p-tolylthio)phenyl]-1H-pyrazole-3-carboxamide Formula: C17H12Br2N4O3S MolecularWeight: 512.17518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NNC(=C3Br)Br

InChI

InChI=1S/C17H12Br2N4O3S/c1-9-2-4-12(5-3-9)27-13-7-10(6-11(8-13)23(25)26)20-17(24)15-14(18)16(19)22-21-15/h2-8H,1H3,(H,20,24)(H,21,22)