[4-[2-(4-fluorophenyl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[2-(4-fluorophenyl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(4-fluorophenyl)thio]-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-fluorophenyl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C17H15FN2OS2 MolecularWeight: 346.442203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=CC=C(C=C2)F)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=CC=C(C=C2)F)C)SC#N

InChI

InChI=1S/C17H15FN2OS2/c1-11-7-15(23-10-19)8-12(2)17(11)20-16(21)9-22-14-5-3-13(18)4-6-14/h3-8H,9H2,1-2H3,(H,20,21)