(4-ethoxyphenyl)methyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: (4-ethoxyphenyl)methyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-ethoxyphenyl)methyl-[[4-ethyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)methyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-ethoxyphenyl)methyl-[[4-ethyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: (4-ethoxybenzyl)-[[4-ethyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)OC

InChI

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