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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4OS/c1-2-14-26-20(17-8-10-18(22)11-9-17)24-25-21(26)28-15-19(27)23-13-12-16-6-4-3-5-7-16/h2-11H,1,12-15H2,(H,23,27)