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

Systemtic Name: 1-[bis(fluoranyl)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-(difluoromethyl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-(difluoromethyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-(difluoromethyl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-(difluoromethyl)-N-[3-nitro-5-(p-tolylthio)phenyl]pyrazole-3-carboxamide Formula: C18H14F2N4O3S MolecularWeight: 404.390566

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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)C(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H14F2N4O3S/c1-11-2-4-14(5-3-11)28-15-9-12(8-13(10-15)24(26)27)21-17(25)16-6-7-23(22-16)18(19)20/h2-10,18H,1H3,(H,21,25)