2-[[4-[(1R)-1-phenylethyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-[(1R)-1-phenylethyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-[(1R)-1-phenylethyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-[(1R)-1-phenylethyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-[(1R)-1-phenylethyl]-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-[(1R)-1-phenylethyl]-5-propyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)C2=CC=CC=C2)SCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1[C@H](C)C2=CC=CC=C2)SCC(=O)[O-]

InChI

InChI=1S/C15H19N3O2S/c1-3-7-13-16-17-15(21-10-14(19)20)18(13)11(2)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,19,20)/p-1/t11-/m1/s1