2-[(2-chloranylphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-[(2-chloranylphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 2-[(2-chlorophenoxy)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-[(2-chlorophenoxy)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 2-[(2-chlorophenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 2-[(2-chlorophenoxy)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C24H19ClN4O4S MolecularWeight: 494.95006

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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=NN3COC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3COC4=CC=CC=C4Cl

InChI

InChI=1S/C24H19ClN4O4S/c1-16-6-8-19(9-7-16)34-20-13-17(12-18(14-20)29(31)32)27-24(30)22-10-11-26-28(22)15-33-23-5-3-2-4-21(23)25/h2-14H,15H2,1H3,(H,27,30)