N-(3,4-diethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide CAS Name: N-(3,4-diethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C)OCC

InChI

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