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

Systemtic Name: [4-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]amino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]amino]-3-methylphenyl] ester IUPAC Name: [4-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]amino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]amino]-3-methyl-phenyl] ester Formula: C16H12ClFN2OS2 MolecularWeight: 366.860683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClFN2OS2/c1-10-6-11(23-9-19)3-5-15(10)20-16(21)8-22-12-2-4-14(18)13(17)7-12/h2-7H,8H2,1H3,(H,20,21)