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

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-(3-chloranyl-4-methyl-phenyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(3-chloro-4-methyl-phenyl)oxadiazol-3-ium-5-olate CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-3-(3-chloro-4-methylphenyl)-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(3-chloro-4-methylphenyl)oxadiazol-3-ium-5-olate Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-(3-chloro-4-methyl-phenyl)oxadiazol-3-ium-5-olate Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN4O3S/c1-10-6-7-11(8-12(10)19)23-16(17(25)26-22-23)15(24)9-27-18-20-13-4-2-3-5-14(13)21-18/h2-8H,9H2,1H3,(H-,20,21,22,24,25)