5-(butan-2-ylsulfanylmethyl)-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-3-phenyl-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-(sec-butylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 5-[(butan-2-ylthio)methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-3-phenyl-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[(sec-butylthio)methyl]-1,2,4-oxadiazole Formula: C13H16N2OS MolecularWeight: 248.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=NC(=NO1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)SCC1=NC(=NO1)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2OS/c1-3-10(2)17-9-12-14-13(15-16-12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3