3-cyano-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

Systemtic Name: 3-cyano-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide Openeye Name: 3-cyano-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide CAS Name: 3-cyano-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide IUPAC Name: 3-cyano-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide Traditional Name: 3-cyano-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide Formula: C16H11N5O MolecularWeight: 289.29144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3C=NC=N3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3C=NC=N3)C#N

InChI

InChI=1S/C16H11N5O/c17-9-12-2-1-3-13(8-12)16(22)20-14-4-6-15(7-5-14)21-11-18-10-19-21/h1-8,10-11H,(H,20,22)