sodium 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoate

Systemtic Name: sodium 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoate Openeye Name: sodium 4-[1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylbutanoate CAS Name: sodium 4-[[1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]butanoate IUPAC Name: sodium 4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoate Traditional Name: sodium 4-[[1-(1-naphthylmethyl)benzimidazol-2-yl]thio]butyrate Formula: C22H19N2NaO2S MolecularWeight: 398.45323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4N=C3SCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C22H20N2O2S.Na/c25-21(26)13-6-14-27-22-23-19-11-3-4-12-20(19)24(22)15-17-9-5-8-16-7-1-2-10-18(16)17;/h1-5,7-12H,6,13-15H2,(H,25,26);/q;+1/p-1