(2-cyanophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (2-cyanophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (2-cyanophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (2-cyanobenzyl) ester Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C#N

InChI

InChI=1S/C18H14N4O2/c19-9-16-3-1-2-4-17(16)11-24-18(23)15-7-5-14(6-8-15)10-22-13-20-12-21-22/h1-8,12-13H,10-11H2