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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H18ClN3O3S MolecularWeight: 355.83972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C15H18ClN3O3S/c1-2-4-19-14(20)17-18-15(19)23-9-10-7-11(16)13-12(8-10)21-5-3-6-22-13/h7-8H,2-6,9H2,1H3,(H,17,20)