5-azanyl-3-[4-(phenylcarbonyl)phenyl]-1,2,3-triazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[4-(phenylcarbonyl)phenyl]-1,2,3-triazole-4-carbonitrile Openeye Name: 5-amino-3-(4-benzoylphenyl)triazole-4-carbonitrile CAS Name: 5-amino-3-(4-benzoylphenyl)-4-triazolecarbonitrile IUPAC Name: 5-amino-3-(4-benzoylphenyl)triazole-4-carbonitrile Traditional Name: 5-amino-3-(4-benzoylphenyl)triazole-4-carbonitrile Formula: C16H11N5O MolecularWeight: 289.29144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C(=C(N=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C(=C(N=N3)N)C#N

InChI

InChI=1S/C16H11N5O/c17-10-14-16(18)19-20-21(14)13-8-6-12(7-9-13)15(22)11-4-2-1-3-5-11/h1-9H,18H2