(E)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enal

Systemtic Name: (E)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enal Openeye Name: (E)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enal CAS Name: (E)-3-[4-(1,2,4-triazol-1-yl)phenyl]-2-propenal IUPAC Name: (E)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enal Traditional Name: (E)-3-[4-(1,2,4-triazol-1-yl)phenyl]acrolein Formula: C11H9N3O MolecularWeight: 199.20866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC=O)N2C=NC=N2

Isomeric SMILES

C1=CC(=CC=C1/C=C/C=O)N2C=NC=N2

InChI

InChI=1S/C11H9N3O/c15-7-1-2-10-3-5-11(6-4-10)14-9-12-8-13-14/h1-9H/b2-1+