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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

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