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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C21H22FN5OS/c22-16-5-4-6-17(13-16)24-19(28)14-29-21-26-25-20(15-9-11-23-12-10-15)27(21)18-7-2-1-3-8-18/h4-6,9-13,18H,1-3,7-8,14H2,(H,24,28)