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

Systemtic Name: N-(2-bromophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)propanamide CAS Name: N-(2-bromophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-bromophenyl)-3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(2-bromophenyl)propionamide Formula: C16H19BrN4OS MolecularWeight: 395.31726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C16H19BrN4OS/c1-3-10-21-14(4-2)19-20-16(21)23-11-9-15(22)18-13-8-6-5-7-12(13)17/h3,5-8H,1,4,9-11H2,2H3,(H,18,22)