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

Systemtic Name: 4-[5-cyclopropyl-3-(hydroxymethyl)-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-cyclopropyl-3-(hydroxymethyl)-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile CAS Name: 4-[[5-cyclopropyl-3-(hydroxymethyl)-1-(methylsulfonylmethyl)-4-pyrazolyl]oxy]-2,6-dimethylbenzonitrile IUPAC Name: 4-[5-cyclopropyl-3-(hydroxymethyl)-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-2,6-dimethylbenzonitrile Traditional Name: 4-[5-cyclopropyl-1-(mesylmethyl)-3-methylol-pyrazol-4-yl]oxy-2,6-dimethyl-benzonitrile Formula: C18H21N3O4S MolecularWeight: 375.44204

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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)C3CC3

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)OC2=C(N(N=C2CO)CS(=O)(=O)C)C3CC3

InChI

InChI=1S/C18H21N3O4S/c1-11-6-14(7-12(2)15(11)8-19)25-18-16(9-22)20-21(10-26(3,23)24)17(18)13-4-5-13/h6-7,13,22H,4-5,9-10H2,1-3H3