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

Systemtic Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2,3-dimethyl-1H-indol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)NC(=C3C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)NC(=C3C)C

InChI

InChI=1S/C16H18N4O2S/c1-4-20-15(18-19-16(20)23-8-14(21)22)11-5-6-13-12(7-11)9(2)10(3)17-13/h5-7,17H,4,8H2,1-3H3,(H,21,22)