3-iodanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-iodanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Openeye Name: 3-iodo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide CAS Name: 3-iodo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide IUPAC Name: 3-iodo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Traditional Name: 3-iodo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Formula: C16H13IN4O MolecularWeight: 404.20509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H13IN4O/c17-14-3-1-2-13(8-14)16(22)20-15-6-4-12(5-7-15)9-21-11-18-10-19-21/h1-8,10-11H,9H2,(H,20,22)