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

Systemtic Name: 3-[3-(3-methanoylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propanenitrile Openeye Name: 3-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propanenitrile CAS Name: 3-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propanenitrile IUPAC Name: 3-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propanenitrile Traditional Name: 3-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]propionitrile Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2CCC#N)C3=CC(=CC=C3)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2CCC#N)C3=CC(=CC=C3)C=O

InChI

InChI=1S/C19H16N4O2/c1-25-17-8-6-15(7-9-17)19-21-18(22-23(19)11-3-10-20)16-5-2-4-14(12-16)13-24/h2,4-9,12-13H,3,11H2,1H3