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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=NC(=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H16BrN7OS/c22-16-4-6-18(7-5-16)29-20(15-8-11-23-12-9-15)27-28-21(29)31-14-19(30)26-25-13-17-3-1-2-10-24-17/h1-13H,14H2,(H,26,30)/b25-13+