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

Systemtic Name: 1-(cyanomethyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(cyanomethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-(cyanomethyl)-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(cyanomethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-(cyanomethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O2/c18-11-12-21-15(16(23)19-13-7-3-1-4-8-13)17(24)22(20-21)14-9-5-2-6-10-14/h1-10H,12H2,(H-,19,20,23,24)