2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]butanoate

Systemtic Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]butanoate Openeye Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]butanoate CAS Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)thio]butanoate IUPAC Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)sulfanyl]butanoate Traditional Name: 2-[(4,5-diphenyl-1H-imidazol-3-ium-2-yl)thio]butyrate Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=[NH+]C(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)[O-])SC1=[NH+]C(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S/c1-2-15(18(22)23)24-19-20-16(13-9-5-3-6-10-13)17(21-19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,20,21)(H,22,23)