(E,4S)-4-(benzotriazol-1-yl)-6-phenyl-hex-5-en-2-one

Systemtic Name: (E,4S)-4-(benzotriazol-1-yl)-6-phenyl-hex-5-en-2-one Openeye Name: (E,4S)-4-(benzotriazol-1-yl)-6-phenyl-hex-5-en-2-one CAS Name: (E,4S)-4-(1-benzotriazolyl)-6-phenyl-5-hexen-2-one IUPAC Name: (E,4S)-4-(benzotriazol-1-yl)-6-phenylhex-5-en-2-one Traditional Name: (E,4S)-4-(benzotriazol-1-yl)-6-phenyl-hex-5-en-2-one Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C=CC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)C[C@@H](/C=C/C1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H17N3O/c1-14(22)13-16(12-11-15-7-3-2-4-8-15)21-18-10-6-5-9-17(18)19-20-21/h2-12,16H,13H2,1H3/b12-11+/t16-/m1/s1