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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(5-piperonyl-1,3,4-oxadiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-14-4-7-16(8-5-14)29-10-2-3-19(25)22-21-24-23-20(28-21)12-15-6-9-17-18(11-15)27-13-26-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,22,24,25)