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

Systemtic Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-amino]methyl]-4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2,4-dimethylbenzyl)-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS/c1-16-5-6-19(17(2)13-16)14-24(3)15-26-21(28)25(11-12-27-4)20(23-26)18-7-9-22-10-8-18/h5-10,13H,11-12,14-15H2,1-4H3