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

Systemtic Name: 2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(1-naphthalenylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O2S/c1-15(21(26)27)28-22-24-23-20(25(22)18-11-3-2-4-12-18)14-17-10-7-9-16-8-5-6-13-19(16)17/h2-13,15H,14H2,1H3,(H,26,27)