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

Systemtic Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(1-ethyl-3-indolyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(1-ethylindol-3-yl)-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=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC(=O)O

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=NN=C(N3CC)SCC(=O)O

InChI

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