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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C14H16BrN5OS MolecularWeight: 382.27874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CC(C(=O)NCC=C)SC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C14H16BrN5OS/c1-3-8-17-13(21)9(2)22-14-19-18-12(20(14)16)10-6-4-5-7-11(10)15/h3-7,9H,1,8,16H2,2H3,(H,17,21)