4-ethynyl-N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]benzamide

Systemtic Name: 4-ethynyl-N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]benzamide Openeye Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-ethynyl-benzamide CAS Name: 4-ethynyl-N-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]benzamide IUPAC Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-ethynylbenzamide Traditional Name: N-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-ethynyl-benzamide Formula: C18H14N4O MolecularWeight: 302.32996

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C(=O)NC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

C#CC1=CC=C(C=C1)C(=O)NC2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H14N4O/c1-2-13-8-10-15(11-9-13)17(23)20-18-19-16(21-22-18)12-14-6-4-3-5-7-14/h1,3-11H,12H2,(H2,19,20,21,22,23)