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

Systemtic Name: 2-[[5-cyclopropyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclopropyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclopropyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclopropyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclopropyl-4-(2,3-dimethylphenyl)-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:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)[O-])C3CC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)[O-])C3CC3)C

InChI

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