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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-methyl-1,3,4-thiadiazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-methyl-1,3,4-thiadiazole Formula: C13H13ClN2O2S2 MolecularWeight: 328.83752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=NN=C(S1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C13H13ClN2O2S2/c1-8-15-16-13(20-8)19-7-9-5-10(14)12-11(6-9)17-3-2-4-18-12/h5-6H,2-4,7H2,1H3