2-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethylazanium

Systemtic Name: 2-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethylazanium Openeye Name: 2-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethylammonium CAS Name: 2-[5-[(3,4-dimethoxyphenyl)methylthio]-1,3,4-oxadiazol-2-yl]ethylammonium IUPAC Name: 2-[5-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethylazanium Traditional Name: 2-[5-(veratrylthio)-1,3,4-oxadiazol-2-yl]ethylammonium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(O2)CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(O2)CC[NH3+])OC

InChI

InChI=1S/C13H17N3O3S/c1-17-10-4-3-9(7-11(10)18-2)8-20-13-16-15-12(19-13)5-6-14/h3-4,7H,5-6,8,14H2,1-2H3/p+1