N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(phenylmethylsulfanyl)butanamide Openeye Name: 4-benzylsulfanyl-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(phenylmethylthio)butanamide IUPAC Name: 4-benzylsulfanyl-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide Traditional Name: 4-(benzylthio)-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butyramide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)CCCSCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)NC(=O)CCCSCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O4S/c1-26-17-11-10-16(13-18(17)27-2)20-23-24-21(28-20)22-19(25)9-6-12-29-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,24,25)