4-bromanyl-5-hexyl-3H-1,3-benzothiazole-2-thione

Systemtic Name: 4-bromanyl-5-hexyl-3H-1,3-benzothiazole-2-thione Openeye Name: 4-bromo-5-hexyl-3H-1,3-benzothiazole-2-thione CAS Name: 4-bromo-5-hexyl-3H-1,3-benzothiazole-2-thione IUPAC Name: 4-bromo-5-hexyl-3H-1,3-benzothiazole-2-thione Traditional Name: 4-bromo-5-hexyl-3H-1,3-benzothiazole-2-thione Formula: C13H16BrNS2 MolecularWeight: 330.30684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C1)SC(=S)N2)Br

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C1)SC(=S)N2)Br

InChI

InChI=1S/C13H16BrNS2/c1-2-3-4-5-6-9-7-8-10-12(11(9)14)15-13(16)17-10/h7-8H,2-6H2,1H3,(H,15,16)