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

Systemtic Name: (4-ethoxyphenyl)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-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: (4-ethoxyphenyl)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-ethoxyphenyl)methyl]-methylazanium Traditional Name: (3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4-ethoxybenzyl)-methyl-ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-4-25-21(15-18-9-7-6-8-10-18)23-26(22(25)28)17-24(3)16-19-11-13-20(14-12-19)27-5-2/h6-14H,4-5,15-17H2,1-3H3/p+1