N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-cyano-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-cyano-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[[5-(besylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-cyano-2-phenyl-pyrazol-3-yl)acetamide Formula: C23H21N7O3S2 MolecularWeight: 507.58794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N7O3S2/c1-2-29-20(16-35(32,33)19-11-7-4-8-12-19)27-28-23(29)34-15-21(31)26-22-17(13-24)14-25-30(22)18-9-5-3-6-10-18/h3-12,14H,2,15-16H2,1H3,(H,26,31)