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

Systemtic Name: 3-[5-(4-methoxyphenyl)-3-oxidanylidene-1H-1,2,4-triazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-methoxyphenyl)-3-oxo-1H-1,2,4-triazol-2-yl]propanenitrile CAS Name: 3-[5-(4-methoxyphenyl)-3-oxo-1H-1,2,4-triazol-2-yl]propanenitrile IUPAC Name: 3-[5-(4-methoxyphenyl)-3-oxo-1H-1,2,4-triazol-2-yl]propanenitrile Traditional Name: 3-[3-keto-5-(4-methoxyphenyl)-1H-1,2,4-triazol-2-yl]propionitrile Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=O)N(N2)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=O)N(N2)CCC#N

InChI

InChI=1S/C12H12N4O2/c1-18-10-5-3-9(4-6-10)11-14-12(17)16(15-11)8-2-7-13/h3-6H,2,8H2,1H3,(H,14,15,17)