[4-(cyanomethyl)phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [4-(cyanomethyl)phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [4-(cyanomethyl)phenyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [4-(cyanomethyl)phenyl] ester Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC2=CC=C(C=C2)CC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OC2=CC=C(C=C2)CC#N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O2/c1-13-17(21-22(20-13)15-5-3-2-4-6-15)18(23)24-16-9-7-14(8-10-16)11-12-19/h2-10H,11H2,1H3