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

Systemtic Name: 2-[[4-(2-methylprop-2-enyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-benzyl-4-(2-methylallyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methylprop-2-enyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-benzyl-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-benzyl-4-(2-methylallyl)-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(=C)CN1C(=NN=C1SCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C15H17N3O2S/c1-11(2)9-18-13(8-12-6-4-3-5-7-12)16-17-15(18)21-10-14(19)20/h3-7H,1,8-10H2,2H3,(H,19,20)/p-1