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

Systemtic Name: 2-[3-methyl-5-oxidanylidene-4-(4-phenoxyphenyl)-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[3-methyl-5-oxo-4-(4-phenoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3-methyl-5-oxo-4-(4-phenoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3-methyl-5-oxo-4-(4-phenoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[5-keto-3-methyl-4-(4-phenoxyphenyl)-1,2,4-triazol-1-yl]acetonitrile Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC#N

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC#N

InChI

InChI=1S/C17H14N4O2/c1-13-19-20(12-11-18)17(22)21(13)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10H,12H2,1H3