2-(1H-benzimidazol-2-ylsulfanyl)-1-[(5R)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[(5R)-3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[(5R)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[(5R)-5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl]ethanone Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=NN([C@](C1)(C)O)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H16N4O2S/c1-9-7-14(2,20)18(17-9)12(19)8-21-13-15-10-5-3-4-6-11(10)16-13/h3-6,20H,7-8H2,1-2H3,(H,15,16)/t14-/m1/s1