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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C16H19BrFN5OS MolecularWeight: 428.322363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H19BrFN5OS/c17-11-6-7-13(12(18)8-11)20-14(24)9-25-16-22-21-15(23(16)19)10-4-2-1-3-5-10/h6-8,10H,1-5,9,19H2,(H,20,24)