methyl 3-methyl-3-[4-[2-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-2-propylsulfanyl-benzimidazol-3-ium-4-carboxylate

Systemtic Name: methyl 3-methyl-3-[4-[2-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-2-propylsulfanyl-benzimidazol-3-ium-4-carboxylate Openeye Name: methyl 3-methyl-3-[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-2-propylsulfanyl-benzimidazol-3-ium-4-carboxylate CAS Name: 3-methyl-3-[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-2-(propylthio)-4-benzimidazol-3-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-3-[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-2-propylsulfanylbenzimidazol-3-ium-4-carboxylate Traditional Name: 3-[4-[2-(5-keto-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-3-methyl-2-(propylthio)benzimidazol-3-ium-4-carboxylic acid methyl ester Formula: C27H25N4O4S+ MolecularWeight: 501.5768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC(=C2[N+]1(C)C3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)ON5)C(=O)OC

Isomeric SMILES

CCCSC1=NC2=CC=CC(=C2[N+]1(C)C3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)ON5)C(=O)OC

InChI

InChI=1S/C27H24N4O4S/c1-4-16-36-26-28-22-11-7-10-21(25(32)34-3)23(22)31(26,2)18-14-12-17(13-15-18)19-8-5-6-9-20(19)24-29-27(33)35-30-24/h5-15H,4,16H2,1-3H3/p+1