5-(methylcarbamoyl)-3-[(E)-(4-methylphenyl)methylideneamino]-1-phenacyl-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 5-(methylcarbamoyl)-3-[(E)-(4-methylphenyl)methylideneamino]-1-phenacyl-1,2,3-triazol-1-ium-4-olate Openeye Name: 5-(methylcarbamoyl)-1-phenacyl-3-[(E)-p-tolylmethyleneamino]triazol-1-ium-4-olate CAS Name: 5-(methylcarbamoyl)-3-[(E)-(4-methylphenyl)methylideneamino]-1-phenacyl-4-triazol-1-iumolate IUPAC Name: 5-(methylcarbamoyl)-3-[(E)-(4-methylphenyl)methylideneamino]-1-phenacyltriazol-1-ium-4-olate Traditional Name: 3-[(E)-(4-methylbenzylidene)amino]-5-(methylcarbamoyl)-1-phenacyl-triazol-1-ium-4-olate Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NN2C(=C([N+](=N2)CC(=O)C3=CC=CC=C3)C(=O)NC)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/N2C(=C([N+](=N2)CC(=O)C3=CC=CC=C3)C(=O)NC)[O-]

InChI

InChI=1S/C20H19N5O3/c1-14-8-10-15(11-9-14)12-22-25-20(28)18(19(27)21-2)24(23-25)13-17(26)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H-,21,23,27,28)/b22-12+