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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-5-25-20(17-9-11-22-12-10-17)23-26(21(25)29)15-24(3)14-16-7-8-18(28-6-2)19(13-16)27-4/h7-13H,5-6,14-15H2,1-4H3/p+1