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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=S)N=CN2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C(=S)N=CN2

InChI

InChI=1S/C10H11N3O2S2/c1-17(14,15)9-4-2-8(3-5-9)6-13-10(16)11-7-12-13/h2-5,7H,6H2,1H3,(H,11,12,16)