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

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-(2,5-dimethylphenyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(2,5-dimethylphenyl)oxadiazol-3-ium-5-olate CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-3-(2,5-dimethylphenyl)-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(2,5-dimethylphenyl)oxadiazol-3-ium-5-olate Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-(2,5-dimethylphenyl)oxadiazol-3-ium-5-olate Formula: C19H16N4O3S MolecularWeight: 380.42034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)[N+]2=NOC(=C2C(=O)CSC3=NC4=CC=CC=C4N3)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)[N+]2=NOC(=C2C(=O)CSC3=NC4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C19H16N4O3S/c1-11-7-8-12(2)15(9-11)23-17(18(25)26-22-23)16(24)10-27-19-20-13-5-3-4-6-14(13)21-19/h3-9H,10H2,1-2H3,(H-,20,21,22,24,25)