[4-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate

Systemtic Name: [4-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate Openeye Name: [4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-ethyl-5-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]amino]-3-ethyl-5-methylphenyl] ester IUPAC Name: [4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-ethyl-5-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-ethyl-5-methyl-phenyl] ester Formula: C19H14F6N2OS MolecularWeight: 432.382679

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC1=C(C(=CC(=C1)SC#N)C)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H14F6N2OS/c1-3-11-7-15(29-9-26)4-10(2)16(11)27-17(28)12-5-13(18(20,21)22)8-14(6-12)19(23,24)25/h4-8H,3H2,1-2H3,(H,27,28)