3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide

Systemtic Name: 3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide Openeye Name: 3-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]propanamide CAS Name: 3-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]propanamide IUPAC Name: 3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide Traditional Name: 3-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]propionamide Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)CSCCC(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)CSCCC(=O)N)Cl

InChI

InChI=1S/C13H13ClN2O2S/c14-10-3-1-9(2-4-10)12-7-11(18-16-12)8-19-6-5-13(15)17/h1-4,7H,5-6,8H2,(H2,15,17)