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

Systemtic Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(ethyl)amino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[ethyl-(phenylmethyl)amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(ethyl)amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(ethyl)amino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

Isomeric SMILES

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CCOC

InChI

InChI=1S/C20H25N5OS/c1-3-23(15-17-7-5-4-6-8-17)16-25-20(27)24(13-14-26-2)19(22-25)18-9-11-21-12-10-18/h4-12H,3,13-16H2,1-2H3