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

Systemtic Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-ethyl-3-indolyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(1-ethylindol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1-ethylindol-3-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:

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCC(=O)O

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3C)SCC(=O)O

InChI

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