(2R)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-bromo-4-methyl-phenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(2-bromo-4-methylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(2-bromo-4-methylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-bromo-4-methyl-phenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=C(C=C(C=C2)C)Br)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)NC2=C(C=C(C=C2)C)Br)C3=CC=NC=C3

InChI

InChI=1S/C19H20BrN5OS/c1-4-25-17(14-7-9-21-10-8-14)23-24-19(25)27-13(3)18(26)22-16-6-5-12(2)11-15(16)20/h5-11,13H,4H2,1-3H3,(H,22,26)/t13-/m1/s1