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

Systemtic Name: 4-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-methyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-(4-pyrrolidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C13H16N4O2S2/c1-16-12(14-15-13(16)20)10-4-6-11(7-5-10)21(18,19)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3,(H,15,20)