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

Systemtic Name: 5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentanoic acid Openeye Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid CAS Name: 5-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]pentanoic acid IUPAC Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]valeric acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c24-19(25)13-7-8-14-26-20-22-21-18(15-16-9-3-1-4-10-16)23(20)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,24,25)