4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,2-dimethoxyethyl)-5-phenyl-1,2,4-triazole-3-thiolate Formula: C12H14N3O2S- MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NN=C1[S-])C2=CC=CC=C2)OC

Isomeric SMILES

COC(CN1C(=NN=C1[S-])C2=CC=CC=C2)OC

InChI

InChI=1S/C12H15N3O2S/c1-16-10(17-2)8-15-11(13-14-12(15)18)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,18)/p-1