2-(1,3-benzothiazol-2-yl)-N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]ethanamine

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]ethanamine Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromo-4-fluoro-phenyl)methyl]ethanamine CAS Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromo-4-fluorophenyl)methyl]ethanamine IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-[(3-bromo-4-fluorophenyl)methyl]ethanamine Traditional Name: 2-(1,3-benzothiazol-2-yl)ethyl-(3-bromo-4-fluoro-benzyl)amine Formula: C16H14BrFN2S MolecularWeight: 365.263163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC(=C(C=C3)F)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C16H14BrFN2S/c17-12-9-11(5-6-13(12)18)10-19-8-7-16-20-14-3-1-2-4-15(14)21-16/h1-6,9,19H,7-8,10H2