N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[3-(2-pyridin-2-ylethynyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[3-[2-(2-pyridyl)ethynyl]phenyl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C18H15N5O MolecularWeight: 317.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCN3C=NC=N3

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCN3C=NC=N3

InChI

InChI=1S/C18H15N5O/c24-18(9-11-23-14-19-13-21-23)22-17-6-3-4-15(12-17)7-8-16-5-1-2-10-20-16/h1-6,10,12-14H,9,11H2,(H,22,24)