2-[[5-[(2-chloranyl-5-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[5-[(2-chloranyl-5-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-[(2-chloro-5-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]ethylammonium IUPAC Name: 2-[[5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethylazanium Traditional Name: 2-[[5-[(2-chloro-5-methyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]ethylammonium Formula: C12H15ClN3O2S+ MolecularWeight: 300.7844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(O2)SCC[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(O2)SCC[NH3+]

InChI

InChI=1S/C12H14ClN3O2S/c1-8-2-3-9(13)10(6-8)17-7-11-15-16-12(18-11)19-5-4-14/h2-3,6H,4-5,7,14H2,1H3/p+1