1-[(2-methylphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2-methylphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-methylphenoxy)methyl]-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2-methylphenoxy)methyl]-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-methylphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-methylphenoxy)methyl]-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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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=C4C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=CC=C4C

InChI

InChI=1S/C25H22N4O4S/c1-17-7-9-21(10-8-17)34-22-14-19(13-20(15-22)29(31)32)26-25(30)23-11-12-28(27-23)16-33-24-6-4-3-5-18(24)2/h3-15H,16H2,1-2H3,(H,26,30)