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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-ethyl-1H-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-ethyl-1H-1,2,4-triazole Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C14H16ClN3O2S/c1-2-12-16-14(18-17-12)21-8-9-6-10(15)13-11(7-9)19-4-3-5-20-13/h6-7H,2-5,8H2,1H3,(H,16,17,18)