2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-2-27-21(17-9-4-3-5-10-17)24-25-22(27)31-16-20(28)23-18-11-8-12-19(15-18)32(29,30)26-13-6-7-14-26/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3,(H,23,28)