4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-methylsulfonylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-methylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-mesylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C13H10N3O2S3- MolecularWeight: 336.4324

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=CS3

InChI

InChI=1S/C13H11N3O2S3/c1-21(17,18)10-6-4-9(5-7-10)16-12(14-15-13(16)19)11-3-2-8-20-11/h2-8H,1H3,(H,15,19)/p-1