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

Systemtic Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H16N4O2S MolecularWeight: 316.37814

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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)