2-[[4-ethyl-5-[(9-oxidanylideneacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-ethyl-5-[(9-oxidanylideneacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-[(9-oxo-10-acridinyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-[(9-ketoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C20H18N4O3S/c1-2-23-17(21-22-20(23)28-12-18(25)26)11-24-15-9-5-3-7-13(15)19(27)14-8-4-6-10-16(14)24/h3-10H,2,11-12H2,1H3,(H,25,26)