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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-methyl-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-6-28-19-12-11-17(13-20(19)27-5)14-24(3)15-26-22(29)25(4)21(23-26)18-10-8-7-9-16(18)2/h7-13H,6,14-15H2,1-5H3/p+1