N-(4-ethynylphenyl)-5-[2-(pyridin-4-ylmethylamino)phenyl]-1H-1,2,4-triazol-3-amine

Systemtic Name: N-(4-ethynylphenyl)-5-[2-(pyridin-4-ylmethylamino)phenyl]-1H-1,2,4-triazol-3-amine Openeye Name: N-(4-ethynylphenyl)-5-[2-(4-pyridylmethylamino)phenyl]-1H-1,2,4-triazol-3-amine CAS Name: N-(4-ethynylphenyl)-5-[2-(pyridin-4-ylmethylamino)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: N-(4-ethynylphenyl)-5-[2-(pyridin-4-ylmethylamino)phenyl]-1H-1,2,4-triazol-3-amine Traditional Name: [2-[3-(4-ethynylanilino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyridylmethyl)amine Formula: C22H18N6 MolecularWeight: 366.41852

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)NC2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4

Isomeric SMILES

C#CC1=CC=C(C=C1)NC2=NNC(=N2)C3=CC=CC=C3NCC4=CC=NC=C4

InChI

InChI=1S/C22H18N6/c1-2-16-7-9-18(10-8-16)25-22-26-21(27-28-22)19-5-3-4-6-20(19)24-15-17-11-13-23-14-12-17/h1,3-14,24H,15H2,(H2,25,26,27,28)