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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]-1H-pyrazole-5-carboxamide Formula: C24H18N4O5S MolecularWeight: 474.48852

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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=CC(=NN3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NN3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18N4O5S/c1-14-2-5-18(6-3-14)34-19-10-16(9-17(11-19)28(30)31)25-24(29)21-12-20(26-27-21)15-4-7-22-23(8-15)33-13-32-22/h2-12H,13H2,1H3,(H,25,29)(H,26,27)