(2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-cyanophenyl)propanamide

Systemtic Name: (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-cyanophenyl)propanamide Openeye Name: (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-cyanophenyl)propanamide CAS Name: (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-cyanophenyl)propanamide IUPAC Name: (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-cyanophenyl)propanamide Traditional Name: (2R)-2-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]-N-(4-cyanophenyl)propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(O2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24N4O2S/c1-13(19(27)24-18-4-2-14(12-23)3-5-18)29-21-26-25-20(28-21)22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,13,15-17H,6-11H2,1H3,(H,24,27)/t13-,15?,16?,17?,22?/m1/s1