2-[4-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: 2-[4-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Openeye Name: 2-[4-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 2-[4-[[4-(4-methyl-1-pyrazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 2-[4-[4-(4-methylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 2-[4-[[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=C(C=C3)C4CC(CCO4)C(=O)N

Isomeric SMILES

CC1=CN(N=C1)C2=CC=C(C=C2)SC3=CC=C(C=C3)C4CC(CCO4)C(=O)N

InChI

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