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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C20H27N4O2S2+ MolecularWeight: 419.58398

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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=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OCC)OC)C3=CC=CS3

InChI

InChI=1S/C20H26N4O2S2/c1-5-23-19(18-8-7-11-28-18)21-24(20(23)27)14-22(3)13-15-9-10-16(26-6-2)17(12-15)25-4/h7-12H,5-6,13-14H2,1-4H3/p+1