N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(p-tolylsulfanyl)propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(5-piperonyl-1,3,4-oxadiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-13-2-5-15(6-3-13)28-9-8-18(24)21-20-23-22-19(27-20)11-14-4-7-16-17(10-14)26-12-25-16/h2-7,10H,8-9,11-12H2,1H3,(H,21,23,24)