1-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(4-ethylphenyl)-2-oxo-ethyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[2-(4-ethylphenyl)-2-oxoethyl]-4-phenyltetrazol-5-one Traditional Name: 1-[2-(4-ethylphenyl)-2-keto-ethyl]-4-phenyl-tetrazol-5-one Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CN2C(=O)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CN2C(=O)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2/c1-2-13-8-10-14(11-9-13)16(22)12-20-17(23)21(19-18-20)15-6-4-3-5-7-15/h3-11H,2,12H2,1H3