1-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]but-3-en-2-one

Systemtic Name: 1-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]but-3-en-2-one Openeye Name: 1-[3-(1-methyltetrazol-5-yl)phenyl]but-3-en-2-one CAS Name: 1-[3-(1-methyl-5-tetrazolyl)phenyl]-3-buten-2-one IUPAC Name: 1-[3-(1-methyltetrazol-5-yl)phenyl]but-3-en-2-one Traditional Name: 1-[3-(1-methyltetrazol-5-yl)phenyl]but-3-en-2-one Formula: C12H12N4O MolecularWeight: 228.24988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=CC(=CC=C2)CC(=O)C=C

Isomeric SMILES

CN1C(=NN=N1)C2=CC(=CC=C2)CC(=O)C=C

InChI

InChI=1S/C12H12N4O/c1-3-11(17)8-9-5-4-6-10(7-9)12-13-14-15-16(12)2/h3-7H,1,8H2,2H3