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

Systemtic Name: 2-[(4-bromanylnaphthalen-1-yl)-(2-butyl-1-benzofuran-3-yl)methyl]sulfanyl-1,3-benzothiazole Openeye Name: 2-[(4-bromo-1-naphthyl)-(2-butylbenzofuran-3-yl)methyl]sulfanyl-1,3-benzothiazole CAS Name: 2-[[(4-bromo-1-naphthalenyl)-(2-butyl-3-benzofuranyl)methyl]thio]-1,3-benzothiazole IUPAC Name: 2-[(4-bromonaphthalen-1-yl)-(2-butyl-1-benzofuran-3-yl)methyl]sulfanyl-1,3-benzothiazole Traditional Name: 2-[[(4-bromo-1-naphthyl)-(2-butylbenzofuran-3-yl)methyl]thio]-1,3-benzothiazole Formula: C30H24BrNOS2 MolecularWeight: 558.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC=C(C4=CC=CC=C43)Br)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(C3=CC=C(C4=CC=CC=C43)Br)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C30H24BrNOS2/c1-2-3-14-26-28(22-12-6-8-15-25(22)33-26)29(35-30-32-24-13-7-9-16-27(24)34-30)21-17-18-23(31)20-11-5-4-10-19(20)21/h4-13,15-18,29H,2-3,14H2,1H3