2-[(4-bromophenyl)-(2-butyl-1-benzofuran-3-yl)methyl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[(4-bromophenyl)-(2-butyl-1-benzofuran-3-yl)methyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[(4-bromophenyl)-(2-butylbenzofuran-3-yl)methyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[(4-bromophenyl)-(2-butyl-3-benzofuranyl)methyl]thio]-1,3-benzothiazole IUPAC Name: 2-[(4-bromophenyl)-(2-butyl-1-benzofuran-3-yl)methyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[(4-bromophenyl)-(2-butylbenzofuran-3-yl)methyl]thio]-1,3-benzothiazole Formula: C26H22BrNOS2 MolecularWeight: 508.49298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC=C(C=C3)Br)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC=C(C=C3)Br)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H22BrNOS2/c1-2-3-10-22-24(19-8-4-6-11-21(19)29-22)25(17-13-15-18(27)16-14-17)31-26-28-20-9-5-7-12-23(20)30-26/h4-9,11-16,25H,2-3,10H2,1H3