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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H18BrN5OS MolecularWeight: 444.34812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NCC=C)SC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C19H18BrN5OS/c1-3-10-22-18(26)13(2)27-19-24-23-17(14-5-4-11-21-12-14)25(19)16-8-6-15(20)7-9-16/h3-9,11-13H,1,10H2,2H3,(H,22,26)