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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)propionamide Formula: C23H20BrN5OS MolecularWeight: 494.4068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CC=C4Br

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CC=C4Br

InChI

InChI=1S/C23H20BrN5OS/c1-15(31-23-28-27-21(29(23)25)18-12-5-7-13-19(18)24)22(30)26-20-14-8-6-11-17(20)16-9-3-2-4-10-16/h2-15H,25H2,1H3,(H,26,30)