(4-ethoxy-3-methoxy-phenyl)methyl-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methyl-azanium

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[5-(4-methoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[[5-(4-methoxyphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[[5-(4-methoxyphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]-methyl-ammonium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)OC(=N2)C3=CC=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)OC(=N2)C3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-5-27-18-11-6-15(12-19(18)26-4)13-23(2)14-24-21(29)28-20(22-24)16-7-9-17(25-3)10-8-16/h6-12H,5,13-14H2,1-4H3/p+1