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

Systemtic Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)N

InChI

InChI=1S/C20H21N5O3S2/c21-18(26)14-29-20-23-22-19(25(20)16-8-2-1-3-9-16)15-7-6-10-17(13-15)30(27,28)24-11-4-5-12-24/h1-3,6-10,13H,4-5,11-12,14H2,(H2,21,26)