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

Systemtic Name: 4-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole Openeye Name: 4-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole CAS Name: 4-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole IUPAC Name: 4-isothiocyanato-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole Traditional Name: 4-isothiocyanato-1-[3-(trifluoromethyl)benzyl]pyrazole Formula: C12H8F3N3S MolecularWeight: 283.27223

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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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F3N3S/c13-12(14,15)10-3-1-2-9(4-10)6-18-7-11(5-17-18)16-8-19/h1-5,7H,6H2