(2R)-N-(4-bromophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H14BrN5OS MolecularWeight: 404.28426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H14BrN5OS/c1-10(15(23)19-13-4-2-12(17)3-5-13)24-16-20-14(21-22-16)11-6-8-18-9-7-11/h2-10H,1H3,(H,19,23)(H,20,21,22)/t10-/m1/s1