methyl 4-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoate CAS Name: 4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoate Traditional Name: 4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzoic acid methyl ester Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3

InChI

InChI=1S/C18H15N5O2/c1-25-18(24)16-6-2-15(3-7-16)11-23(22-12-20-21-13-22)17-8-4-14(10-19)5-9-17/h2-9,12-13H,11H2,1H3