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

Systemtic Name: [4,5-bis(azanyl)-2-(trifluoromethyl)phenyl] thiocyanate Openeye Name: [4,5-diamino-2-(trifluoromethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [4,5-diamino-2-(trifluoromethyl)phenyl] ester IUPAC Name: [4,5-diamino-2-(trifluoromethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [4,5-diamino-2-(trifluoromethyl)phenyl] ester Formula: C8H6F3N3S MolecularWeight: 233.21355

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N)N)SC#N)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC(=C1N)N)SC#N)C(F)(F)F

InChI

InChI=1S/C8H6F3N3S/c9-8(10,11)4-1-5(13)6(14)2-7(4)15-3-12/h1-2H,13-14H2