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

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

CC(=O)C=CC1=CC=CC=C1C2=NN=NN2C

Isomeric SMILES

CC(=O)/C=C/C1=CC=CC=C1C2=NN=NN2C

InChI

InChI=1S/C12H12N4O/c1-9(17)7-8-10-5-3-4-6-11(10)12-13-14-15-16(12)2/h3-8H,1-2H3/b8-7+