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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

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