4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-chloro-2,5-dimethoxyphenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-chloro-2,5-dimethoxy-phenyl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C13H15ClN3O2S- MolecularWeight: 312.7951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC(=C(C=C2OC)Cl)OC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC(=C(C=C2OC)Cl)OC)[S-]

InChI

InChI=1S/C13H16ClN3O2S/c1-4-5-12-15-16-13(20)17(12)9-7-10(18-2)8(14)6-11(9)19-3/h6-7H,4-5H2,1-3H3,(H,16,20)/p-1