[5-(3,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [5-(3,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(3,4-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-ethyl-ammonium CAS Name: [5-(3,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(3,4-dimethoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-ethylazanium Traditional Name: benzyl-[[5-(3,4-dimethoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-ethyl-ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H23N3O3S/c1-4-22(13-15-8-6-5-7-9-15)14-23-20(27)26-19(21-23)16-10-11-17(24-2)18(12-16)25-3/h5-12H,4,13-14H2,1-3H3/p+1