N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O4S2/c1-2-31-18-11-10-17(14-19(18)33(29,30)27-12-6-7-13-27)23-20(28)15-32-22-24-21(25-26-22)16-8-4-3-5-9-16/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3,(H,23,28)(H,24,25,26)