[3-bromanyl-4-[2-(4-methoxyphenyl)sulfanylethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-[2-(4-methoxyphenyl)sulfanylethanoylamino]phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-[(4-methoxyphenyl)thio]acetyl]amino]phenyl] ester Formula: C16H13BrN2O2S2 MolecularWeight: 409.32062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)SC#N)Br

InChI

InChI=1S/C16H13BrN2O2S2/c1-21-11-2-4-12(5-3-11)22-9-16(20)19-15-7-6-13(23-10-18)8-14(15)17/h2-8H,9H2,1H3,(H,19,20)