2-[(2-ethylmorpholin-4-yl)methyl]-4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(2-ethylmorpholin-4-yl)methyl]-4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[(2-ethylmorpholin-4-yl)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(2-ethyl-4-morpholinyl)methyl]-4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[(2-ethylmorpholin-4-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(2-ethylmorpholino)methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCO1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1CN(CCO1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-2-19-15-24(11-12-27-19)16-26-21(28)25(14-17-7-4-3-5-8-17)20(23-26)18-9-6-10-22-13-18/h3-10,13,19H,2,11-12,14-16H2,1H3