1-[(2R)-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-yl-ethanone

Systemtic Name: 1-[(2R)-2-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-yl-ethanone Openeye Name: 1-[(2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(2-pyridyl)ethanone CAS Name: 1-[(2R)-2-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-pyrrolidinyl]-2-(2-pyridinyl)ethanone IUPAC Name: 1-[(2R)-2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-pyridin-2-ylethanone Traditional Name: 1-[(2R)-2-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]pyrrolidino]-2-(2-pyridyl)ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN3C(=O)CC4=CC=CC=N4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN3C(=O)CC4=CC=CC=N4

InChI

InChI=1S/C21H23N5OS/c1-25-20(23-24-21(25)28-15-16-8-3-2-4-9-16)18-11-7-13-26(18)19(27)14-17-10-5-6-12-22-17/h2-6,8-10,12,18H,7,11,13-15H2,1H3/t18-/m1/s1