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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H22BrFN4OS MolecularWeight: 441.360883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H22BrFN4OS/c1-11(17(25)21-16-9-8-13(19)10-15(16)20)26-18-23-22-12(2)24(18)14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,21,25)