2-[[5-[[(4-iodophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[[5-[[(4-iodophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[5-[(4-iodoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)acetamide Formula: C22H19IN6OS MolecularWeight: 542.39533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)CNC4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)CNC4=CC=C(C=C4)I

InChI

InChI=1S/C22H19IN6OS/c23-16-9-11-17(12-10-16)25-14-20-27-28-22(29(20)18-6-2-1-3-7-18)31-15-21(30)26-19-8-4-5-13-24-19/h1-13,25H,14-15H2,(H,24,26,30)