3-[bis(fluoranyl)methyl]-5-(2-heptan-2-ylphenyl)-1-methyl-pyrazole-4-carbothioamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(2-heptan-2-ylphenyl)-1-methyl-pyrazole-4-carbothioamide Openeye Name: 3-(difluoromethyl)-1-methyl-5-[2-(1-methylhexyl)phenyl]pyrazole-4-carbothioamide CAS Name: 3-(difluoromethyl)-5-(2-heptan-2-ylphenyl)-1-methyl-4-pyrazolecarbothioamide IUPAC Name: 3-(difluoromethyl)-5-(2-heptan-2-ylphenyl)-1-methylpyrazole-4-carbothioamide Traditional Name: 3-(difluoromethyl)-1-methyl-5-[2-(1-methylhexyl)phenyl]pyrazole-4-carbothioamide Formula: C19H25F2N3S MolecularWeight: 365.483706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC=C1C2=C(C(=NN2C)C(F)F)C(=S)N

Isomeric SMILES

CCCCCC(C)C1=CC=CC=C1C2=C(C(=NN2C)C(F)F)C(=S)N

InChI

InChI=1S/C19H25F2N3S/c1-4-5-6-9-12(2)13-10-7-8-11-14(13)17-15(19(22)25)16(18(20)21)23-24(17)3/h7-8,10-12,18H,4-6,9H2,1-3H3,(H2,22,25)