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

Systemtic Name: 4-(3-methylphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(m-tolyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-methylphenyl)-5-[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-methylphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(m-tolyl)-5-[[(4-pyrrolidinosulfonylbenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C21H22N5O3S2- MolecularWeight: 456.56108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O3S2/c1-15-5-4-6-17(13-15)26-19(23-24-21(26)30)14-22-20(27)16-7-9-18(10-8-16)31(28,29)25-11-2-3-12-25/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,27)(H,24,30)/p-1