4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-(2-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-(2-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(2-methoxyphenyl)oxadiazol-3-ium-5-olate CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-3-(2-methoxyphenyl)-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(2-methoxyphenyl)oxadiazol-3-ium-5-olate Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-(2-methoxyphenyl)oxadiazol-3-ium-5-olate Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2=NOC(=C2C(=O)CSC3=NC4=CC=CC=C4N3)[O-]

Isomeric SMILES

COC1=CC=CC=C1[N+]2=NOC(=C2C(=O)CSC3=NC4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C18H14N4O4S/c1-25-15-9-5-4-8-13(15)22-16(17(24)26-21-22)14(23)10-27-18-19-11-6-2-3-7-12(11)20-18/h2-9H,10H2,1H3,(H-,19,20,21,23,24)