[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C17H14BrFN2O2S MolecularWeight: 409.272663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC2=C(C=C(C=C2)Br)F)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC2=C(C=C(C=C2)Br)F)C)SC#N

InChI

InChI=1S/C17H14BrFN2O2S/c1-10-5-13(24-9-20)6-11(2)17(10)21-16(22)8-23-15-4-3-12(18)7-14(15)19/h3-7H,8H2,1-2H3,(H,21,22)