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

Systemtic Name: 3-[3-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-benzyloxyphenyl)-3-oxo-1H-1,2,4-triazol-2-yl]propanenitrile CAS Name: 3-[3-oxo-5-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-2-yl]propanenitrile IUPAC Name: 3-[3-oxo-5-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-2-yl]propanenitrile Traditional Name: 3-[5-(4-benzoxyphenyl)-3-keto-1H-1,2,4-triazol-2-yl]propionitrile Formula: C18H16N4O2 MolecularWeight: 320.34524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=O)N(N3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=O)N(N3)CCC#N

InChI

InChI=1S/C18H16N4O2/c19-11-4-12-22-18(23)20-17(21-22)15-7-9-16(10-8-15)24-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2,(H,20,21,23)