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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)F

InChI

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