[3-methyl-4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]amino]phenyl] ester Formula: C17H13F3N2OS2 MolecularWeight: 382.42313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H13F3N2OS2/c1-11-7-14(25-10-21)5-6-15(11)22-16(23)9-24-13-4-2-3-12(8-13)17(18,19)20/h2-8H,9H2,1H3,(H,22,23)