[3-bromanyl-4-(propanoylamino)phenyl] thiocyanate

Systemtic Name: [3-bromanyl-4-(propanoylamino)phenyl] thiocyanate Openeye Name: [3-bromo-4-(propanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [3-bromo-4-(1-oxopropylamino)phenyl] ester IUPAC Name: [3-bromo-4-(propanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid (3-bromo-4-propionamido-phenyl) ester Formula: C10H9BrN2OS MolecularWeight: 285.16026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)SC#N)Br

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)SC#N)Br

InChI

InChI=1S/C10H9BrN2OS/c1-2-10(14)13-9-4-3-7(15-6-12)5-8(9)11/h3-5H,2H2,1H3,(H,13,14)