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

Systemtic Name: 4-(2-methoxyethyl)-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[benzyl(isopropyl)amino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyethyl)-2-[[(phenylmethyl)-propan-2-ylamino]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[benzyl(propan-2-yl)amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[benzyl(isopropyl)amino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS/c1-17(2)24(15-18-7-5-4-6-8-18)16-26-21(28)25(13-14-27-3)20(23-26)19-9-11-22-12-10-19/h4-12,17H,13-16H2,1-3H3