1-phenyl-3,3-bis(1,2,3-triazol-1-yl)propan-1-one

Systemtic Name: 1-phenyl-3,3-bis(1,2,3-triazol-1-yl)propan-1-one Openeye Name: 1-phenyl-3,3-bis(triazol-1-yl)propan-1-one CAS Name: 1-phenyl-3,3-bis(1-triazolyl)-1-propanone IUPAC Name: 1-phenyl-3,3-bis(triazol-1-yl)propan-1-one Traditional Name: 1-phenyl-3,3-bis(triazol-1-yl)propan-1-one Formula: C13H12N6O MolecularWeight: 268.27398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(N2C=CN=N2)N3C=CN=N3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(N2C=CN=N2)N3C=CN=N3

InChI

InChI=1S/C13H12N6O/c20-12(11-4-2-1-3-5-11)10-13(18-8-6-14-16-18)19-9-7-15-17-19/h1-9,13H,10H2