N-(2,6-dimethylphenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanamide Openeye Name: N-(2,6-dimethylphenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanamide CAS Name: N-(2,6-dimethylphenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butanamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=NC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC2=NC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-15-8-6-9-16(2)20(15)22-18(25)12-7-13-27-14-19-23-21(24-26-19)17-10-4-3-5-11-17/h3-6,8-11H,7,12-14H2,1-2H3,(H,22,25)