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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=CC(=C(C=C3)OCC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+](C)CC3=CC(=C(C=C3)OCC)OC

InChI

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