2-[2-chloranyl-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[2-chloranyl-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-phenyl]-2-methyl-propanenitrile Openeye Name: 2-[2-chloro-4-[3-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-phenyl]-2-methyl-propanenitrile CAS Name: 2-[2-chloro-4-[[3-(4-methoxy-4-oxanyl)phenyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[2-chloro-4-[[3-(4-methoxytetrahydropyran-4-yl)phenyl]thio]phenyl]-2-methyl-propionitrile Formula: C22H24ClNO2S MolecularWeight: 401.94946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C3(CCOCC3)OC)Cl

Isomeric SMILES

CC(C)(C#N)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C3(CCOCC3)OC)Cl

InChI

InChI=1S/C22H24ClNO2S/c1-21(2,15-24)19-8-7-18(14-20(19)23)27-17-6-4-5-16(13-17)22(25-3)9-11-26-12-10-22/h4-8,13-14H,9-12H2,1-3H3