4-[2-[(3-ethanoyl-2-oxidanyl-phenyl)methylamino]-1,3-thiazol-4-yl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-[2-[(3-ethanoyl-2-oxidanyl-phenyl)methylamino]-1,3-thiazol-4-yl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-[(3-acetyl-2-hydroxy-phenyl)methylamino]thiazol-4-yl]-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-[2-[(3-acetyl-2-hydroxyphenyl)methylamino]-4-thiazolyl]-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-[(3-acetyl-2-hydroxyphenyl)methylamino]-1,3-thiazol-4-yl]-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-[2-[(3-acetyl-2-hydroxy-benzyl)amino]thiazol-4-yl]-3-phenyl-oxadiazol-3-ium-5-olate Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=CC=C1)CNC2=NC(=CS2)C3=C(ON=[N+]3C4=CC=CC=C4)[O-])O

Isomeric SMILES

CC(=O)C1=C(C(=CC=C1)CNC2=NC(=CS2)C3=C(ON=[N+]3C4=CC=CC=C4)[O-])O

InChI

InChI=1S/C20H16N4O4S/c1-12(25)15-9-5-6-13(18(15)26)10-21-20-22-16(11-29-20)17-19(27)28-23-24(17)14-7-3-2-4-8-14/h2-9,11H,10H2,1H3,(H2-,21,22,23,25,26,27)