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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NNC2=S

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C=NNC2=S

InChI

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