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

Systemtic Name: 2-[[5-cyclopropyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-[(1R)-1-phenylethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O2S- MolecularWeight: 302.37144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=NN=C2SCC(=O)[O-])C3CC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=NN=C2SCC(=O)[O-])C3CC3

InChI

InChI=1S/C15H17N3O2S/c1-10(11-5-3-2-4-6-11)18-14(12-7-8-12)16-17-15(18)21-9-13(19)20/h2-6,10,12H,7-9H2,1H3,(H,19,20)/p-1/t10-/m1/s1