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

Systemtic Name: N-(4-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4OS/c1-2-17-22-23-19(24(17)16-6-4-3-5-7-16)26-13-12-18(25)21-15-10-8-14(20)9-11-15/h3-11H,2,12-13H2,1H3,(H,21,25)