2-[(7-bromanyl-1H-indol-3-yl)methyl]-4,5,7-tris(fluoranyl)-1,3-benzothiazole

Systemtic Name: 2-[(7-bromanyl-1H-indol-3-yl)methyl]-4,5,7-tris(fluoranyl)-1,3-benzothiazole Openeye Name: 2-[(7-bromo-1H-indol-3-yl)methyl]-4,5,7-trifluoro-1,3-benzothiazole CAS Name: 2-[(7-bromo-1H-indol-3-yl)methyl]-4,5,7-trifluoro-1,3-benzothiazole IUPAC Name: 2-[(7-bromo-1H-indol-3-yl)methyl]-4,5,7-trifluoro-1,3-benzothiazole Traditional Name: 2-[(7-bromo-1H-indol-3-yl)methyl]-4,5,7-trifluoro-1,3-benzothiazole Formula: C16H8BrF3N2S MolecularWeight: 397.21233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)NC=C2CC3=NC4=C(C(=CC(=C4S3)F)F)F

Isomeric SMILES

C1=CC2=C(C(=C1)Br)NC=C2CC3=NC4=C(C(=CC(=C4S3)F)F)F

InChI

InChI=1S/C16H8BrF3N2S/c17-9-3-1-2-8-7(6-21-14(8)9)4-12-22-15-13(20)10(18)5-11(19)16(15)23-12/h1-3,5-6,21H,4H2