[4-[[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]carbonylamino]phenyl] thiocyanate Openeye Name: [4-[[3-(4-bromophenyl)-2,1-benzoxazole-5-carbonyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[[3-(4-bromophenyl)-2,1-benzoxazole-5-carbonyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[3-(4-bromophenyl)anthranil-5-carbonyl]amino]phenyl] ester Formula: C21H12BrN3O2S MolecularWeight: 450.30788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C(=O)NC4=CC=C(C=C4)SC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)C(=O)NC4=CC=C(C=C4)SC#N)Br

InChI

InChI=1S/C21H12BrN3O2S/c22-15-4-1-13(2-5-15)20-18-11-14(3-10-19(18)25-27-20)21(26)24-16-6-8-17(9-7-16)28-12-23/h1-11H,(H,24,26)