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

Systemtic Name: 4-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Openeye Name: 4-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c1-16-14-17(2)26(25-16)19-6-8-20(9-7-19)29-21-5-3-4-18(15-21)23(22(24)27)10-12-28-13-11-23/h3-9,14-15H,10-13H2,1-2H3,(H2,24,27)