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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-[(4-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(4-ethyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-5-25-21(18-10-8-7-9-11-18)23-26(22(25)29)16-24(3)15-17-12-13-19(28-6-2)20(14-17)27-4/h7-14H,5-6,15-16H2,1-4H3/p+1