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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: (3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OCC)OC)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC(=C(C=C2)OCC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2S/c1-5-26-22(15-18-10-8-7-9-11-18)24-27(23(26)30)17-25(3)16-19-12-13-20(29-6-2)21(14-19)28-4/h7-14H,5-6,15-17H2,1-4H3/p+1