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

Systemtic Name: [3-bromanyl-4-(2-pyridin-2-ylsulfanylethanoylamino)phenyl] thiocyanate Openeye Name: [3-bromo-4-[[2-(2-pyridylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]phenyl] ester IUPAC Name: [3-bromo-4-[(2-pyridin-2-ylsulfanylacetyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-bromo-4-[[2-(2-pyridylthio)acetyl]amino]phenyl] ester Formula: C14H10BrN3OS2 MolecularWeight: 380.2827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3OS2/c15-11-7-10(21-9-16)4-5-12(11)18-13(19)8-20-14-3-1-2-6-17-14/h1-7H,8H2,(H,18,19)