(E)-3-phenyl-1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[3-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[3-(1-tetrazolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one Formula: C16H12N4O MolecularWeight: 276.29268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C16H12N4O/c21-16(10-9-13-5-2-1-3-6-13)14-7-4-8-15(11-14)20-12-17-18-19-20/h1-12H/b10-9+