4-ethyl-2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methyl-amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-ethyl-2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methyl-amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(2-ethyl-3-benzofuranyl)methyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=S)N(C(=N3)C4=CC=NC=C4)CC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(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