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

Systemtic Name: 2-[[4-naphthalen-1-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-naphthyl)-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-naphthalenyl)-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-naphthalen-1-yl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1-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(=C1)C=CC=C2CC3=NN=C(N3C4=CC=CC5=CC=CC=C54)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(N3C4=CC=CC5=CC=CC=C54)SCC(=O)O

InChI

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