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

Systemtic Name: [3-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-(2-ethoxy-2-oxo-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(2-ethoxy-2-oxoethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: (4-ethoxybenzyl)-[[3-(2-ethoxy-2-keto-ethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-5-24-15-9-7-14(8-10-15)12-20(3)13-22-18(26)21(4)16(19-22)11-17(23)25-6-2/h7-10H,5-6,11-13H2,1-4H3/p+1