2-[[4-naphthalen-2-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-naphthalen-2-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-naphthyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-naphthalenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-naphthalen-2-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-naphthyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)N3C(=NN=C3SCC(=O)O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)N3C(=NN=C3SCC(=O)O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H19N3O2S/c29-24(30)16-31-25-27-26-23(15-20-10-5-9-18-7-3-4-11-22(18)20)28(25)21-13-12-17-6-1-2-8-19(17)14-21/h1-14H,15-16H2,(H,29,30)