2-[3-(3-methanoylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[3-(3-methanoylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2CC#N)C3=CC(=CC=C3)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2CC#N)C3=CC(=CC=C3)C=O

InChI

InChI=1S/C18H14N4O2/c1-24-16-7-5-14(6-8-16)18-20-17(21-22(18)10-9-19)15-4-2-3-13(11-15)12-23/h2-8,11-12H,10H2,1H3