2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(1-naphthylmethyl)imidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(1-naphthalenylmethyl)-2-imidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(naphthalen-1-ylmethyl)imidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(1-naphthylmethyl)imidazol-2-yl]thio]methyl]benzoic acid Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=CN=C3SCC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C=CN=C3SCC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H18N2O2S/c25-21(26)20-11-4-2-7-18(20)15-27-22-23-12-13-24(22)14-17-9-5-8-16-6-1-3-10-19(16)17/h1-13H,14-15H2,(H,25,26)