4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid

Systemtic Name: 4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid CAS Name: 4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]butyric acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)O

InChI

InChI=1S/C19H19N3O2S/c23-18(24)12-7-13-25-19-21-20-17(14-15-8-3-1-4-9-15)22(19)16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H,23,24)