N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide Formula: C16H9ClIN5O2 MolecularWeight: 465.63243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C3=NC=NN3)N=C(O2)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C3=NC=NN3)N=C(O2)C4=C(C=CC(=C4)I)Cl

InChI

InChI=1S/C16H9ClIN5O2/c17-11-3-1-8(18)5-10(11)16-22-12-6-9(2-4-13(12)25-16)21-15(24)14-19-7-20-23-14/h1-7H,(H,21,24)(H,19,20,23)