2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(methylthio)-1,3,4-thiadiazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(methylthio)-1,3,4-thiadiazole Formula: C13H13ClN2O2S3 MolecularWeight: 360.90252

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CSC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C13H13ClN2O2S3/c1-19-12-15-16-13(21-12)20-7-8-5-9(14)11-10(6-8)17-3-2-4-18-11/h5-6H,2-4,7H2,1H3