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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[5-(o-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[5-(2-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-[[5-(o-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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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=CC=C3C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)OC(=N2)C3=CC=CC=C3C)OC

InChI

InChI=1S/C21H25N3O3S/c1-5-26-18-11-10-16(12-19(18)25-4)13-23(3)14-24-21(28)27-20(22-24)17-9-7-6-8-15(17)2/h6-12H,5,13-14H2,1-4H3/p+1