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

Systemtic Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(p-tolylsulfanyl)butanamide CAS Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(p-tolylthio)butyramide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NN=C(O2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-14-6-9-16(10-7-14)29-12-4-5-19(25)22-21-24-23-20(28-21)15-8-11-17(26-2)18(13-15)27-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,24,25)