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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[[4-ethyl-3-(4-morpholinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(4-ethyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(4-ethyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C20H32N5O3S+ MolecularWeight: 422.56478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OCC)OC)N3CCOCC3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OCC)OC)N3CCOCC3

InChI

InChI=1S/C20H31N5O3S/c1-5-24-19(23-9-11-27-12-10-23)21-25(20(24)29)15-22(3)14-16-7-8-17(28-6-2)18(13-16)26-4/h7-8,13H,5-6,9-12,14-15H2,1-4H3/p+1