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

Systemtic Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(2-methyl-3-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:

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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