4-(2-methoxy-2-oxidanylidene-ethyl)-5-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-methoxy-2-oxo-ethyl)-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methoxy-2-oxoethyl)-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methoxy-2-oxoethyl)-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-keto-2-methoxy-ethyl)-5-phenyl-1,2,4-triazole-3-thiolate Formula: C11H10N3O2S- MolecularWeight: 248.281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O2S/c1-16-9(15)7-14-10(12-13-11(14)17)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,17)/p-1