2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CO4

InChI

InChI=1S/C20H22N4O4S2/c1-2-24-19(18-6-5-13-28-18)21-22-20(24)29-14-17(25)15-7-9-16(10-8-15)30(26,27)23-11-3-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3