3-[[4-(4-chloranylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-chloranylphenoxy)-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-chlorophenoxy)-6-isopropyl-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(4-chlorophenoxy)-6-propan-2-yl-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(4-chlorophenoxy)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-(4-chlorophenoxy)-6-isopropyl-pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3OS/c1-14(2)19-11-20(26-18-8-6-17(22)7-9-18)25-21(24-19)27-13-16-5-3-4-15(10-16)12-23/h3-11,14H,13H2,1-2H3