4-[3-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: 4-[3-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Openeye Name: 4-[3-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-[[4-(4-methyl-1-pyrazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-[[4-(4-methylpyrazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N

Isomeric SMILES

CC1=CN(N=C1)C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N

InChI

InChI=1S/C22H23N3O2S/c1-16-14-24-25(15-16)18-5-7-19(8-6-18)28-20-4-2-3-17(13-20)22(21(23)26)9-11-27-12-10-22/h2-8,13-15H,9-12H2,1H3,(H2,23,26)