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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NN=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

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