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

Systemtic Name: 2-[[4-azanyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C16H20FN5OS MolecularWeight: 349.426303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F

InChI

InChI=1S/C16H20FN5OS/c17-13-9-5-4-8-12(13)15-20-21-16(22(15)18)24-10-14(23)19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,18H2,(H,19,23)