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

Systemtic Name: 3-[bis(propylsulfanyl)methyl]-5-chloranyl-2-(phenoxymethyl)-2H-1,3-benzothiazole Openeye Name: 3-[bis(propylsulfanyl)methyl]-5-chloro-2-(phenoxymethyl)-2H-1,3-benzothiazole CAS Name: 3-[bis(propylthio)methyl]-5-chloro-2-(phenoxymethyl)-2H-1,3-benzothiazole IUPAC Name: 3-[bis(propylsulfanyl)methyl]-5-chloro-2-(phenoxymethyl)-2H-1,3-benzothiazole Traditional Name: 3-[bis(propylthio)methyl]-5-chloro-2-(phenoxymethyl)-2H-1,3-benzothiazole Formula: C21H26ClNOS3 MolecularWeight: 440.08524

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(N1C(SC2=C1C=C(C=C2)Cl)COC3=CC=CC=C3)SCCC

Isomeric SMILES

CCCSC(N1C(SC2=C1C=C(C=C2)Cl)COC3=CC=CC=C3)SCCC

InChI

InChI=1S/C21H26ClNOS3/c1-3-12-25-21(26-13-4-2)23-18-14-16(22)10-11-19(18)27-20(23)15-24-17-8-6-5-7-9-17/h5-11,14,20-21H,3-4,12-13,15H2,1-2H3