2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-12-2-3-16(7-17(12)24(26)27)18(25)11-29-20-23-22-19(28-20)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,13-15H,4-6,8-11H2,1H3