3-(4-chlorophenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2-oxazole

Systemtic Name: 3-(4-chlorophenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2-oxazole Openeye Name: 5-(benzylsulfanylmethyl)-3-(4-chlorophenyl)isoxazole CAS Name: 3-(4-chlorophenyl)-5-[(phenylmethylthio)methyl]isoxazole IUPAC Name: 5-(benzylsulfanylmethyl)-3-(4-chlorophenyl)-1,2-oxazole Traditional Name: 5-[(benzylthio)methyl]-3-(4-chlorophenyl)isoxazole Formula: C17H14ClNOS MolecularWeight: 315.81716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNOS/c18-15-8-6-14(7-9-15)17-10-16(20-19-17)12-21-11-13-4-2-1-3-5-13/h1-10H,11-12H2