(2S)-1,2-bis(benzotriazol-1-yl)pentan-3-one

Systemtic Name: (2S)-1,2-bis(benzotriazol-1-yl)pentan-3-one Openeye Name: (2S)-1,2-bis(benzotriazol-1-yl)pentan-3-one CAS Name: (2S)-1,2-bis(1-benzotriazolyl)-3-pentanone IUPAC Name: (2S)-1,2-bis(benzotriazol-1-yl)pentan-3-one Traditional Name: (2S)-1,2-bis(benzotriazol-1-yl)pentan-3-one Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CN1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCC(=O)[C@H](CN1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H16N6O/c1-2-17(24)16(23-15-10-6-4-8-13(15)19-21-23)11-22-14-9-5-3-7-12(14)18-20-22/h3-10,16H,2,11H2,1H3/t16-/m0/s1