4-[5-(hydroxymethyl)-1-(methylsulfonylmethyl)-3-propan-2-yl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[5-(hydroxymethyl)-1-(methylsulfonylmethyl)-3-propan-2-yl-pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-(hydroxymethyl)-3-isopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[5-(hydroxymethyl)-1-(methylsulfonylmethyl)-3-propan-2-yl-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[5-(hydroxymethyl)-1-(methylsulfonylmethyl)-3-propan-2-ylpyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[3-isopropyl-1-(mesylmethyl)-5-methylol-pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C(C)C)CS(=O)(=O)C)CO

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2C(C)C)CS(=O)(=O)C)CO

InChI

InChI=1S/C18H23N3O4S/c1-11(2)17-18(16(9-22)21(20-17)10-26(5,23)24)25-14-6-12(3)15(8-19)13(4)7-14/h6-7,11,22H,9-10H2,1-5H3