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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-propyl-1H-1,2,4-triazole Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C15H18ClN3O2S/c1-2-4-13-17-15(19-18-13)22-9-10-7-11(16)14-12(8-10)20-5-3-6-21-14/h7-8H,2-6,9H2,1H3,(H,17,18,19)