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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C(C)C2=CC=CC=C2)SCC(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=NN=C2SCC(=O)[O-])C(C)C

InChI

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