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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-cyclopropyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-cyclopropyl-1,2,4-triazole Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NN=CN3C4CC4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NN=CN3C4CC4)Cl)OC1

InChI

InChI=1S/C15H16ClN3O2S/c16-12-6-10(7-13-14(12)21-5-1-4-20-13)8-22-15-18-17-9-19(15)11-2-3-11/h6-7,9,11H,1-5,8H2