N-(1,3-benzothiazol-2-ylmethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)ethanamine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-chloranyl-4-fluoranyl-phenyl)ethanamine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-chloro-4-fluoro-phenyl)ethanamine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-chloro-4-fluorophenyl)ethanamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-(3-chloro-4-fluorophenyl)ethanamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[1-(3-chloro-4-fluoro-phenyl)ethyl]amine Formula: C16H14ClFN2S MolecularWeight: 320.812163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C1=CC(=C(C=C1)F)Cl)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14ClFN2S/c1-10(11-6-7-13(18)12(17)8-11)19-9-16-20-14-4-2-3-5-15(14)21-16/h2-8,10,19H,9H2,1H3