(2R)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-bromo-4-methyl-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(2-bromo-4-methylphenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(2-bromo-4-methylphenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(2-bromo-4-methyl-phenyl)propionamide Formula: C17H23BrN4OS MolecularWeight: 411.35972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCCCCN1C=NN=C1S[C@H](C)C(=O)NC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C17H23BrN4OS/c1-4-5-6-9-22-11-19-21-17(22)24-13(3)16(23)20-15-8-7-12(2)10-14(15)18/h7-8,10-11,13H,4-6,9H2,1-3H3,(H,20,23)/t13-/m1/s1