4-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile

Systemtic Name: 4-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Openeye Name: 4-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C#N)C

InChI

InChI=1S/C23H23N3OS/c1-17-14-18(2)26(25-17)20-6-8-21(9-7-20)28-22-5-3-4-19(15-22)23(16-24)10-12-27-13-11-23/h3-9,14-15H,10-13H2,1-2H3