3-(4-methoxyphenyl)-4-[2-[[(E)-(5-oxidanylidene-3-phenyl-1,2,3-oxadiazol-3-ium-4-ylidene)methyl]diazenyl]-1,3-thiazol-4-yl]-2H-1,2,3-oxadiazol-5-olate

Systemtic Name: 3-(4-methoxyphenyl)-4-[2-[[(E)-(5-oxidanylidene-3-phenyl-1,2,3-oxadiazol-3-ium-4-ylidene)methyl]diazenyl]-1,3-thiazol-4-yl]-2H-1,2,3-oxadiazol-5-olate Openeye Name: 3-(4-methoxyphenyl)-4-[2-[(E)-(5-oxo-3-phenyl-oxadiazol-3-ium-4-ylidene)methyl]azothiazol-4-yl]-2H-oxadiazol-5-olate CAS Name: 3-(4-methoxyphenyl)-4-[2-[(E)-(5-oxo-3-phenyl-4-oxadiazol-3-iumylidene)methyl]azo-4-thiazolyl]-2H-oxadiazol-5-olate IUPAC Name: 3-(4-methoxyphenyl)-4-[2-[[(E)-(5-oxo-3-phenyloxadiazol-3-ium-4-ylidene)methyl]diazenyl]-1,3-thiazol-4-yl]-2H-oxadiazol-5-olate Traditional Name: 4-[2-[(E)-(5-keto-3-phenyl-oxadiazol-3-ium-4-ylidene)methyl]azothiazol-4-yl]-3-(4-methoxyphenyl)-2H-oxadiazol-5-olate Formula: C21H15N7O5S MolecularWeight: 477.4527

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(ON2)[O-])C3=CSC(=N3)N=NC=C4C(=O)ON=[N+]4C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(ON2)[O-])C3=CSC(=N3)N=N/C=C/4\C(=O)ON=[N+]4C5=CC=CC=C5

InChI

InChI=1S/C21H15N7O5S/c1-31-15-9-7-14(8-10-15)28-18(20(30)33-26-28)16-12-34-21(23-16)24-22-11-17-19(29)32-25-27(17)13-5-3-2-4-6-13/h2-12,26H,1H3/b17-11+,24-22?