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

Systemtic Name: 4-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-(3-pyrrolidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2S2/c23-26(24,21-11-4-5-12-21)16-10-6-7-14(13-16)17-19-20-18(25)22(17)15-8-2-1-3-9-15/h1-3,6-10,13H,4-5,11-12H2,(H,20,25)