4-[[4-[(E)-3-oxidanylideneprop-1-enyl]-1,2,3-triazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-oxidanylideneprop-1-enyl]-1,2,3-triazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-oxoprop-1-enyl]triazol-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-3-oxoprop-1-enyl]-1-triazolyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-oxoprop-1-enyl]triazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-ketoprop-1-enyl]triazol-1-yl]methyl]benzonitrile Formula: C13H10N4O MolecularWeight: 238.2447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(N=N2)C=CC=O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(N=N2)/C=C/C=O)C#N

InChI

InChI=1S/C13H10N4O/c14-8-11-3-5-12(6-4-11)9-17-10-13(15-16-17)2-1-7-18/h1-7,10H,9H2/b2-1+