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

Systemtic Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetate Formula: C17H14N3O2S- MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C17H15N3O2S/c21-16(22)12-23-17-19-18-15(11-13-7-3-1-4-8-13)20(17)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,21,22)/p-1