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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranyl-4-fluoranyl-phenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluoro-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-fluorophenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-fluorophenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-4-fluoro-phenyl)propionamide Formula: C17H21ClFN5OS MolecularWeight: 397.897943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C17H21ClFN5OS/c1-10(16(25)21-14-8-7-12(19)9-13(14)18)26-17-23-22-15(24(17)20)11-5-3-2-4-6-11/h7-11H,2-6,20H2,1H3,(H,21,25)