2-[[2-[bis(propylsulfanyl)methyl]phenoxy]methyl]-5-chloranyl-1,3-benzothiazole

Systemtic Name: 2-[[2-[bis(propylsulfanyl)methyl]phenoxy]methyl]-5-chloranyl-1,3-benzothiazole Openeye Name: 2-[[2-[bis(propylsulfanyl)methyl]phenoxy]methyl]-5-chloro-1,3-benzothiazole CAS Name: 2-[[2-[bis(propylthio)methyl]phenoxy]methyl]-5-chloro-1,3-benzothiazole IUPAC Name: 2-[[2-[bis(propylsulfanyl)methyl]phenoxy]methyl]-5-chloro-1,3-benzothiazole Traditional Name: 2-[[2-[bis(propylthio)methyl]phenoxy]methyl]-5-chloro-1,3-benzothiazole Formula: C21H24ClNOS3 MolecularWeight: 438.06936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C1=CC=CC=C1OCC2=NC3=C(S2)C=CC(=C3)Cl)SCCC

Isomeric SMILES

CCCSC(C1=CC=CC=C1OCC2=NC3=C(S2)C=CC(=C3)Cl)SCCC

InChI

InChI=1S/C21H24ClNOS3/c1-3-11-25-21(26-12-4-2)16-7-5-6-8-18(16)24-14-20-23-17-13-15(22)9-10-19(17)27-20/h5-10,13,21H,3-4,11-12,14H2,1-2H3