4-(2,2-dimethoxyethyl)-3-[oxidanyl(phenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,2-dimethoxyethyl)-3-[oxidanyl(phenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,2-dimethoxyethyl)-3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,2-dimethoxyethyl)-3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,2-dimethoxyethyl)-3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,2-dimethoxyethyl)-3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-5-thione Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NNC1=S)C(C2=CC=CC=C2)O)OC

Isomeric SMILES

COC(CN1C(=NNC1=S)C(C2=CC=CC=C2)O)OC

InChI

InChI=1S/C13H17N3O3S/c1-18-10(19-2)8-16-12(14-15-13(16)20)11(17)9-6-4-3-5-7-9/h3-7,10-11,17H,8H2,1-2H3,(H,15,20)