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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-phenyl-1,2,4-triazole Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NN=CN3C4=CC=CC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NN=CN3C4=CC=CC=C4)Cl)OC1

InChI

InChI=1S/C18H16ClN3O2S/c19-15-9-13(10-16-17(15)24-8-4-7-23-16)11-25-18-21-20-12-22(18)14-5-2-1-3-6-14/h1-3,5-6,9-10,12H,4,7-8,11H2