N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-prop-2-enylsulfanyl-benzamide

Systemtic Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-prop-2-enylsulfanyl-benzamide Openeye Name: 2-allylsulfanyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide CAS Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(prop-2-enylthio)benzamide IUPAC Name: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-prop-2-enylsulfanylbenzamide Traditional Name: 2-(allylthio)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC=CC=C3SCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CNC(=O)C3=CC=CC=C3SCC=C)OC

InChI

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