[(4S,5R)-3,5-dimethyl-4-(2-methylpropyl)-5-oxidanyl-4H-pyrazol-1-yl]-phenyl-methanethione

Systemtic Name: [(4S,5R)-3,5-dimethyl-4-(2-methylpropyl)-5-oxidanyl-4H-pyrazol-1-yl]-phenyl-methanethione Openeye Name: [(4S,5R)-5-hydroxy-4-isobutyl-3,5-dimethyl-4H-pyrazol-1-yl]-phenyl-methanethione CAS Name: [(4S,5R)-5-hydroxy-3,5-dimethyl-4-(2-methylpropyl)-4H-pyrazol-1-yl]-phenylmethanethione IUPAC Name: [(4S,5R)-5-hydroxy-3,5-dimethyl-4-(2-methylpropyl)-4H-pyrazol-1-yl]-phenylmethanethione Traditional Name: [(4S,5R)-5-hydroxy-4-isobutyl-3,5-dimethyl-2-pyrazolin-1-yl]-phenyl-methanethione Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1CC(C)C)(C)O)C(=S)C2=CC=CC=C2

Isomeric SMILES

CC1=NN([C@]([C@H]1CC(C)C)(C)O)C(=S)C2=CC=CC=C2

InChI

InChI=1S/C16H22N2OS/c1-11(2)10-14-12(3)17-18(16(14,4)19)15(20)13-8-6-5-7-9-13/h5-9,11,14,19H,10H2,1-4H3/t14-,16+/m0/s1