N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-cyclohexyl-N-(4-fluorobenzyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H24FN5OS MolecularWeight: 425.522263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C22H24FN5OS/c23-18-8-6-16(7-9-18)14-28(19-4-2-1-3-5-19)20(29)15-30-22-25-21(26-27-22)17-10-12-24-13-11-17/h6-13,19H,1-5,14-15H2,(H,25,26,27)