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

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-1-(phenoxymethyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide Formula: C24H20N4O4S MolecularWeight: 460.505

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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=NN(C=C3)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O4S/c1-17-7-9-21(10-8-17)33-22-14-18(13-19(15-22)28(30)31)25-24(29)23-11-12-27(26-23)16-32-20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,25,29)