[3-bromanyl-4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-(2-pyrimidin-2-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3-bromo-4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-(2-pyrimidylthio)acetyl]amino]phenyl] ester Formula: C13H9BrN4OS2 MolecularWeight: 381.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN4OS2/c14-10-6-9(21-8-15)2-3-11(10)18-12(19)7-20-13-16-4-1-5-17-13/h1-6H,7H2,(H,18,19)