2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H15N4O2S- MolecularWeight: 315.3702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C)SCC(=O)[O-])C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C3=NN=C(N3C)SCC(=O)[O-])C

InChI

InChI=1S/C15H16N4O2S/c1-8-9(2)16-12-5-4-10(6-11(8)12)14-17-18-15(19(14)3)22-7-13(20)21/h4-6,16H,7H2,1-3H3,(H,20,21)/p-1