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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

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