N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-2-carboxamide

Systemtic Name: N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-2-carboxamide Openeye Name: N-[5-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-2-carboxamide CAS Name: N-[5-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-adamantanecarboxamide IUPAC Name: N-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-2-carboxamide Traditional Name: N-[5-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]adamantane-2-carboxamide Formula: C21H22FN3O2S2 MolecularWeight: 431.546683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)NC4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)NC4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H22FN3O2S2/c22-16-3-1-13(2-4-16)17(26)10-28-21-25-24-20(29-21)23-19(27)18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15,18H,5-10H2,(H,23,24,27)