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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2CO)CS(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2CO)CS(=O)(=O)C)C(C)C

InChI

InChI=1S/C18H23N3O4S/c1-11(2)17-18(16(9-22)20-21(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