2-(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanenitrile

Systemtic Name: 2-(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanenitrile Openeye Name: 2-(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanenitrile CAS Name: 2-(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanenitrile IUPAC Name: 2-(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanenitrile Traditional Name: 2-(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propionitrile Formula: C12H12N4O MolecularWeight: 228.24988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN2C=NC=N2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(CN2C=NC=N2)C#N

InChI

InChI=1S/C12H12N4O/c1-17-12-4-2-10(3-5-12)11(6-13)7-16-9-14-8-15-16/h2-5,8-9,11H,7H2,1H3