2-[[4-phenyl-5-[2-(phenylmethylsulfanyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-phenyl-5-[2-(phenylmethylsulfanyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2-benzylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[2-(phenylmethylthio)ethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2-benzylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[2-(benzylthio)ethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C19H18N3O2S2- MolecularWeight: 384.49512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C19H19N3O2S2/c23-18(24)14-26-19-21-20-17(22(19)16-9-5-2-6-10-16)11-12-25-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,23,24)/p-1