3-(2,4-dimethyl-3H-1,2,4-triazol-4-ium-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)chromen-2-one

Systemtic Name: 3-(2,4-dimethyl-3H-1,2,4-triazol-4-ium-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)chromen-2-one Openeye Name: 3-(2,4-dimethyl-3H-1,2,4-triazol-4-ium-1-yl)-7-(4-methyl-5-phenyl-triazol-2-yl)chromen-2-one CAS Name: 3-(2,4-dimethyl-3H-1,2,4-triazol-4-ium-1-yl)-7-(4-methyl-5-phenyl-2-triazolyl)-1-benzopyran-2-one IUPAC Name: 3-(2,4-dimethyl-3H-1,2,4-triazol-4-ium-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one Traditional Name: 3-(2,4-dimethyl-3H-1,2,4-triazol-4-ium-1-yl)-7-(4-methyl-5-phenyl-triazol-2-yl)coumarin Formula: C22H21N6O2+ MolecularWeight: 401.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)N5C=[N+](CN5C)C

Isomeric SMILES

CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)N5C=[N+](CN5C)C

InChI

InChI=1S/C22H21N6O2/c1-15-21(16-7-5-4-6-8-16)24-28(23-15)18-10-9-17-11-19(22(29)30-20(17)12-18)27-14-25(2)13-26(27)3/h4-12,14H,13H2,1-3H3/q+1