3-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2-oxazole-5-carboxamide Openeye Name: 3-(p-tolyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]isoxazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-[4-(3-pyridinylmethylthio)phenyl]-5-isoxazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1,2-oxazole-5-carboxamide Traditional Name: 3-(p-tolyl)-N-[4-(3-pyridylmethylthio)phenyl]isoxazole-5-carboxamide Formula: C23H19N3O2S MolecularWeight: 401.48086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C23H19N3O2S/c1-16-4-6-18(7-5-16)21-13-22(28-26-21)23(27)25-19-8-10-20(11-9-19)29-15-17-3-2-12-24-14-17/h2-14H,15H2,1H3,(H,25,27)