3-[[4-[2,4-bis(fluoranyl)phenoxy]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[2,4-bis(fluoranyl)phenoxy]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,4-difluorophenoxy)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2,4-difluorophenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(2,4-difluorophenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(2,4-difluorophenoxy)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C21H17F2N3OS MolecularWeight: 397.440986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)OC3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C#N)OC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H17F2N3OS/c1-13(2)18-10-20(27-19-7-6-16(22)9-17(19)23)26-21(25-18)28-12-15-5-3-4-14(8-15)11-24/h3-10,13H,12H2,1-2H3