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

Systemtic Name: 4-ethyl-2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methyl-amino]methyl]-5-morpholin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-5-morpholino-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(2-ethyl-3-benzofuranyl)methyl-methylamino]methyl]-5-(4-morpholinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-5-morpholin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(2-ethylbenzofuran-3-yl)methyl-methyl-amino]methyl]-5-morpholino-1,2,4-triazole-3-thione Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=S)N(C(=N3)N4CCOCC4)CC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)CN3C(=S)N(C(=N3)N4CCOCC4)CC

InChI

InChI=1S/C21H29N5O2S/c1-4-18-17(16-8-6-7-9-19(16)28-18)14-23(3)15-26-21(29)25(5-2)20(22-26)24-10-12-27-13-11-24/h6-9H,4-5,10-15H2,1-3H3