4-chloranyl-3-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

Systemtic Name: 4-chloranyl-3-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole Openeye Name: 4-chloro-3-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole CAS Name: 4-chloro-3-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole IUPAC Name: 4-chloro-3-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole Traditional Name: 4-chloro-3-isothiocyanato-1-[3-(trifluoromethyl)benzyl]pyrazole Formula: C12H7ClF3N3S MolecularWeight: 317.71729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C(=N2)N=C=S)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C(=N2)N=C=S)Cl

InChI

InChI=1S/C12H7ClF3N3S/c13-10-6-19(18-11(10)17-7-20)5-8-2-1-3-9(4-8)12(14,15)16/h1-4,6H,5H2