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

Systemtic Name: 5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-1,2,4-triazole-3-thiolate Formula: C12H13ClN3O2S- MolecularWeight: 298.76852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O2S/c1-17-10(18-2)7-16-11(14-15-12(16)19)8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,19)/p-1