[4-azanyl-2-chloranyl-5-(trifluoromethyl)phenyl] thiocyanate

Systemtic Name: [4-azanyl-2-chloranyl-5-(trifluoromethyl)phenyl] thiocyanate Openeye Name: [4-amino-2-chloro-5-(trifluoromethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [4-amino-2-chloro-5-(trifluoromethyl)phenyl] ester IUPAC Name: [4-amino-2-chloro-5-(trifluoromethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-amino-2-chloro-5-(trifluoromethyl)phenyl] ester Formula: C8H4ClF3N2S MolecularWeight: 252.64397

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1SC#N)Cl)N)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC(=C1SC#N)Cl)N)C(F)(F)F

InChI

InChI=1S/C8H4ClF3N2S/c9-5-2-6(14)4(8(10,11)12)1-7(5)15-3-13/h1-2H,14H2