2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-4-ylethylideneamino)ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-4-ylethylideneamino)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(4-pyridyl)ethylideneamino]acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(1-pyridin-4-ylethylideneamino)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-pyridin-4-ylethylideneamino)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[1-(4-pyridyl)ethylideneamino]acetamide Formula: C22H18BrN7OS MolecularWeight: 508.39362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H18BrN7OS/c1-15(16-8-11-24-12-9-16)26-27-20(31)14-32-22-29-28-21(17-3-2-10-25-13-17)30(22)19-6-4-18(23)5-7-19/h2-13H,14H2,1H3,(H,27,31)