N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclopropyl-2-[[4-(2-furylmethyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclopropyl-2-[[4-(2-furanylmethyl)-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclopropyl-2-[[4-(2-furfuryl)-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CO4)SCC(=O)NC5CC5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3CC4=CC=CO4)SCC(=O)NC5CC5

InChI

InChI=1S/C22H25N5O4S2/c28-20(23-17-7-8-17)15-32-22-25-24-21(27(22)14-18-4-3-13-31-18)16-5-9-19(10-6-16)33(29,30)26-11-1-2-12-26/h3-6,9-10,13,17H,1-2,7-8,11-12,14-15H2,(H,23,28)