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

Systemtic Name: 7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)chromen-2-one Openeye Name: 7-(4-methyl-5-phenyl-triazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)chromen-2-one CAS Name: 7-(4-methyl-5-phenyl-2-triazolyl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-benzopyran-2-one IUPAC Name: 7-(4-methyl-5-phenyltriazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)chromen-2-one Traditional Name: 7-(4-methyl-5-phenyl-triazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)coumarin Formula: C21H17N6O2+ MolecularWeight: 385.39868

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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)[N+]5=CN(N=C5)C

Isomeric SMILES

CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)[N+]5=CN(N=C5)C

InChI

InChI=1S/C21H17N6O2/c1-14-20(15-6-4-3-5-7-15)24-27(23-14)17-9-8-16-10-18(21(28)29-19(16)11-17)26-12-22-25(2)13-26/h3-13H,1-2H3/q+1