4-(3-chlorophenyl)-5-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chlorophenyl)-5-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chlorophenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chlorophenyl)-5-[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chlorophenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chlorophenyl)-5-[[(4-pyrrolidinosulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C20H19ClN5O3S2- MolecularWeight: 476.97956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC(=CC=C4)Cl)[S-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC(=CC=C4)Cl)[S-]

InChI

InChI=1S/C20H20ClN5O3S2/c21-15-4-3-5-16(12-15)26-18(23-24-20(26)30)13-22-19(27)14-6-8-17(9-7-14)31(28,29)25-10-1-2-11-25/h3-9,12H,1-2,10-11,13H2,(H,22,27)(H,24,30)/p-1