N-[[5-ethylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-ethylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-ethylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(ethylthio)-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-ethylsulfanyl-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(ethylthio)-4-(3-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C22H27FN4OS MolecularWeight: 414.539383

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC(=CC=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCSC1=NN=C(N1C2=CC(=CC=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27FN4OS/c1-2-29-21-26-25-19(27(21)18-5-3-4-17(23)9-18)13-24-20(28)22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,2,6-8,10-13H2,1H3,(H,24,28)