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

Systemtic Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-ethyl-5-morpholin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]methyl]-4-ethyl-5-morpholino-1,2,4-triazole-3-thione CAS Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-ethyl-5-(4-morpholinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-ethyl-5-morpholin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]methyl]-4-ethyl-5-morpholino-1,2,4-triazole-3-thione Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC(=C(C=C2)OCC)OC)N3CCOCC3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC(=C(C=C2)OCC)OC)N3CCOCC3

InChI

InChI=1S/C20H31N5O3S/c1-5-24-19(23-9-11-27-12-10-23)21-25(20(24)29)15-22(3)14-16-7-8-17(28-6-2)18(13-16)26-4/h7-8,13H,5-6,9-12,14-15H2,1-4H3