1,1-diphenyl-4-(1,2,4-triazol-1-yl)but-2-yn-1-ol

Systemtic Name: 1,1-diphenyl-4-(1,2,4-triazol-1-yl)but-2-yn-1-ol Openeye Name: 1,1-diphenyl-4-(1,2,4-triazol-1-yl)but-2-yn-1-ol CAS Name: 1,1-diphenyl-4-(1,2,4-triazol-1-yl)-2-butyn-1-ol IUPAC Name: 1,1-diphenyl-4-(1,2,4-triazol-1-yl)but-2-yn-1-ol Traditional Name: 1,1-diphenyl-4-(1,2,4-triazol-1-yl)but-2-yn-1-ol Formula: C18H15N3O MolecularWeight: 289.3312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#CCN2C=NC=N2)(C3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C(C#CCN2C=NC=N2)(C3=CC=CC=C3)O

InChI

InChI=1S/C18H15N3O/c22-18(16-8-3-1-4-9-16,17-10-5-2-6-11-17)12-7-13-21-15-19-14-20-21/h1-6,8-11,14-15,22H,13H2