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

Systemtic Name: [4-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]amino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]amino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C17H14ClFN2OS2 MolecularWeight: 380.887263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClFN2OS2/c1-10-5-13(24-9-20)6-11(2)17(10)21-16(22)8-23-12-3-4-15(19)14(18)7-12/h3-7H,8H2,1-2H3,(H,21,22)