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

Systemtic Name: 5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3-thiazol-2-amine Openeye Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]thiazol-2-amine CAS Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-2-thiazolamine IUPAC Name: 5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,3-thiazol-2-amine Traditional Name: [5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]thiazol-2-yl]amine Formula: C13H13ClN2O2S2 MolecularWeight: 328.83752

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=CN=C(S3)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=CN=C(S3)N)Cl)OC1

InChI

InChI=1S/C13H13ClN2O2S2/c14-9-4-8(7-19-11-6-16-13(15)20-11)5-10-12(9)18-3-1-2-17-10/h4-6H,1-3,7H2,(H2,15,16)