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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=N2)CCC#N

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=N2)CCC#N

InChI

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