methyl 1-(3-ethynylphenyl)-5-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 1-(3-ethynylphenyl)-5-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: methyl 1-(3-ethynylphenyl)-5-phenyl-triazole-4-carboxylate CAS Name: 1-(3-ethynylphenyl)-5-phenyl-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-ethynylphenyl)-5-phenyltriazole-4-carboxylate Traditional Name: 1-(3-ethynylphenyl)-5-phenyl-triazole-4-carboxylic acid methyl ester Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C#C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C#C)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O2/c1-3-13-8-7-11-15(12-13)21-17(14-9-5-4-6-10-14)16(19-20-21)18(22)23-2/h1,4-12H,2H3