1-methyl-4-[4-(phenylmethylsulfanyl)butoxy]-2-propylsulfanyl-benzene

Systemtic Name: 1-methyl-4-[4-(phenylmethylsulfanyl)butoxy]-2-propylsulfanyl-benzene Openeye Name: 4-(4-benzylsulfanylbutoxy)-1-methyl-2-propylsulfanyl-benzene CAS Name: 1-methyl-4-[4-(phenylmethylthio)butoxy]-2-(propylthio)benzene IUPAC Name: 4-(4-benzylsulfanylbutoxy)-1-methyl-2-propylsulfanylbenzene Traditional Name: 4-[4-(benzylthio)butoxy]-1-methyl-2-(propylthio)benzene Formula: C21H28OS2 MolecularWeight: 360.57642

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)OCCCCSCC2=CC=CC=C2)C

Isomeric SMILES

CCCSC1=C(C=CC(=C1)OCCCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C21H28OS2/c1-3-14-24-21-16-20(12-11-18(21)2)22-13-7-8-15-23-17-19-9-5-4-6-10-19/h4-6,9-12,16H,3,7-8,13-15,17H2,1-2H3