3-methyl-4-(4-methylsulfonylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-methyl-4-(4-methylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-methyl-4-(4-methylsulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-methyl-4-(4-methylsulfonylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-methyl-4-(4-methylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-mesylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Formula: C10H11N3O2S2 MolecularWeight: 269.34324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=NNC(=S)N1C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C10H11N3O2S2/c1-7-11-12-10(16)13(7)8-3-5-9(6-4-8)17(2,14)15/h3-6H,1-2H3,(H,12,16)