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

Systemtic Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,2-dimethoxyethyl)-3-[(1-methyl-2-pyrrolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NNC(=S)N2CC(OC)OC

Isomeric SMILES

CN1C=CC=C1CC2=NNC(=S)N2CC(OC)OC

InChI

InChI=1S/C12H18N4O2S/c1-15-6-4-5-9(15)7-10-13-14-12(19)16(10)8-11(17-2)18-3/h4-6,11H,7-8H2,1-3H3,(H,14,19)