4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-3-methoxy-benzenecarbonitrile Openeye Name: 4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-3-methoxy-benzonitrile CAS Name: 4-[[3,5-dicyclopropyl-1-(methylsulfonylmethyl)-4-pyrazolyl]oxy]-3-methoxybenzonitrile IUPAC Name: 4-[3,5-dicyclopropyl-1-(methylsulfonylmethyl)pyrazol-4-yl]oxy-3-methoxybenzonitrile Traditional Name: 4-[3,5-dicyclopropyl-1-(mesylmethyl)pyrazol-4-yl]oxy-3-methoxy-benzonitrile Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC2=C(N(N=C2C3CC3)CS(=O)(=O)C)C4CC4

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC2=C(N(N=C2C3CC3)CS(=O)(=O)C)C4CC4

InChI

InChI=1S/C19H21N3O4S/c1-25-16-9-12(10-20)3-8-15(16)26-19-17(13-4-5-13)21-22(11-27(2,23)24)18(19)14-6-7-14/h3,8-9,13-14H,4-7,11H2,1-2H3