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

Systemtic Name: (2-ethyl-1-benzofuran-3-yl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: (2-ethylbenzofuran-3-yl)methyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (2-ethyl-3-benzofuranyl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: (2-ethyl-1-benzofuran-3-yl)methyl-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: (2-ethylbenzofuran-3-yl)methyl-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4=CC=NC=C4)CC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=S)N(C(=N3)C4=CC=NC=C4)CC

InChI

InChI=1S/C22H25N5OS/c1-4-19-18(17-8-6-7-9-20(17)28-19)14-25(3)15-27-22(29)26(5-2)21(24-27)16-10-12-23-13-11-16/h6-13H,4-5,14-15H2,1-3H3/p+1