N-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c25-17(21-20-8-12-4-13(9-20)6-14(5-12)10-20)11-29-19-23-22-18(28-19)15-2-1-3-16(7-15)24(26)27/h1-3,7,12-14H,4-6,8-11H2,(H,21,25)