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

Systemtic Name: 3-tert-butyl-5-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-tert-butyl-5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-tert-butyl-5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-tert-butyl-5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-tert-butyl-5-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H21ClN4O2S/c1-16(2,3)14-19-20-15(21(14)18)24-9-10-7-11(17)13-12(8-10)22-5-4-6-23-13/h7-8H,4-6,9,18H2,1-3H3