4-methyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-triazole CAS Name: 4-methyl-3-[(2R)-1-methylsulfonyl-2-pyrrolidinyl]-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(2R)-1-mesylpyrrolidin-2-yl]-4-methyl-1,2,4-triazole Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN3S(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN3S(=O)(=O)C

InChI

InChI=1S/C15H20N4O2S2/c1-18-14(13-9-6-10-19(13)23(2,20)21)16-17-15(18)22-11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3/t13-/m1/s1