1-(2-cyanoethyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-(2-cyanoethyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(2-cyanoethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-(2-cyanoethyl)-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(2-cyanoethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-(2-cyanoethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C18H15N5O2 MolecularWeight: 333.344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CCC#N)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CCC#N)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H15N5O2/c19-12-7-13-22-16(17(24)20-14-8-3-1-4-9-14)18(25)23(21-22)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2,(H-,20,21,24,25)