4-methyl-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazole Formula: C12H16N4O3S2 MolecularWeight: 328.41044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C12H16N4O3S2/c1-15-9-13-14-12(15)20-8-10-4-5-11(19-10)21(17,18)16-6-2-3-7-16/h4-5,9H,2-3,6-8H2,1H3