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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NNC(=N3)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NNC(=N3)N)Cl)OC1

InChI

InChI=1S/C12H13ClN4O2S/c13-8-4-7(6-20-12-15-11(14)16-17-12)5-9-10(8)19-3-1-2-18-9/h4-5H,1-3,6H2,(H3,14,15,16,17)