2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1,3-benzothiazole IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1,3-benzothiazole Formula: C17H17NO2S2 MolecularWeight: 331.45238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3S2)OC)OC

InChI

InChI=1S/C17H17NO2S2/c1-11-8-14(19-2)15(20-3)9-12(11)10-21-17-18-13-6-4-5-7-16(13)22-17/h4-9H,10H2,1-3H3