1-methyl-5-[(2-methylphenyl)methylsulfanyl]-3-(trifluoromethyl)pyrazole-4-carbaldehyde

Systemtic Name: 1-methyl-5-[(2-methylphenyl)methylsulfanyl]-3-(trifluoromethyl)pyrazole-4-carbaldehyde Openeye Name: 1-methyl-5-(o-tolylmethylsulfanyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde CAS Name: 1-methyl-5-[(2-methylphenyl)methylthio]-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde IUPAC Name: 1-methyl-5-[(2-methylphenyl)methylsulfanyl]-3-(trifluoromethyl)pyrazole-4-carbaldehyde Traditional Name: 1-methyl-5-[(2-methylbenzyl)thio]-3-(trifluoromethyl)pyrazole-4-carbaldehyde Formula: C14H13F3N2OS MolecularWeight: 314.32603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C(=NN2C)C(F)(F)F)C=O

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C(=NN2C)C(F)(F)F)C=O

InChI

InChI=1S/C14H13F3N2OS/c1-9-5-3-4-6-10(9)8-21-13-11(7-20)12(14(15,16)17)18-19(13)2/h3-7H,8H2,1-2H3