[5-oxidanyl-3,5-di(propan-2-yl)-4H-pyrazol-1-yl]-phenyl-methanethione

Systemtic Name: [5-oxidanyl-3,5-di(propan-2-yl)-4H-pyrazol-1-yl]-phenyl-methanethione Openeye Name: (5-hydroxy-3,5-diisopropyl-4H-pyrazol-1-yl)-phenyl-methanethione CAS Name: [5-hydroxy-3,5-di(propan-2-yl)-4H-pyrazol-1-yl]-phenylmethanethione IUPAC Name: [5-hydroxy-3,5-di(propan-2-yl)-4H-pyrazol-1-yl]-phenylmethanethione Traditional Name: (5-hydroxy-3,5-diisopropyl-2-pyrazolin-1-yl)-phenyl-methanethione Formula: C16H22N2OS MolecularWeight: 290.42368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(C1)(C(C)C)O)C(=S)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN(C(C1)(C(C)C)O)C(=S)C2=CC=CC=C2

InChI

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