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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[3-(2-ethoxy-2-oxo-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[[3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[[3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: [3-(2-ethoxy-2-keto-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4S/c1-6-26-15-9-8-14(10-16(15)25-5)12-21(3)13-23-19(28)22(4)17(20-23)11-18(24)27-7-2/h8-10H,6-7,11-13H2,1-5H3/p+1