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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-4-ylmethylideneamino)ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyridylmethyleneamino)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(pyridin-4-ylmethylideneamino)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-4-ylmethylideneamino)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyridylmethyleneamino)acetamide Formula: C21H16BrN7OS MolecularWeight: 494.36704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NN=CC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NN=CC4=CC=NC=C4

InChI

InChI=1S/C21H16BrN7OS/c22-17-3-5-18(6-4-17)29-20(16-2-1-9-24-13-16)27-28-21(29)31-14-19(30)26-25-12-15-7-10-23-11-8-15/h1-13H,14H2,(H,26,30)