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

Systemtic Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-5-methylsulfanyl-1,2,4-triazole Openeye Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-5-methylsulfanyl-1,2,4-triazole CAS Name: 4-(2,2-dimethoxyethyl)-3-[(1-methyl-2-pyrrolyl)methyl]-5-(methylthio)-1,2,4-triazole IUPAC Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-5-methylsulfanyl-1,2,4-triazole Traditional Name: 4-(2,2-dimethoxyethyl)-3-[(1-methylpyrrol-2-yl)methyl]-5-(methylthio)-1,2,4-triazole Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CC(OC)OC)SC

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CC(OC)OC)SC

InChI

InChI=1S/C13H20N4O2S/c1-16-7-5-6-10(16)8-11-14-15-13(20-4)17(11)9-12(18-2)19-3/h5-7,12H,8-9H2,1-4H3