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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1,3,4-thiadiazole Formula: C12H11ClN2O2S2 MolecularWeight: 314.81094

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NN=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NN=CS3)Cl)OC1

InChI

InChI=1S/C12H11ClN2O2S2/c13-9-4-8(6-18-12-15-14-7-19-12)5-10-11(9)17-3-1-2-16-10/h4-5,7H,1-3,6H2