2-[3-methyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC#N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)OCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C18H16N4O2/c1-14-20-21(12-11-19)18(23)22(14)16-7-9-17(10-8-16)24-13-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3