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

Systemtic Name: 2-[[4-methyl-5-[(9-oxidanylideneacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-[(9-oxo-10-acridinyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(9-ketoacridin-10-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C19H16N4O3S/c1-22-16(20-21-19(22)27-11-17(24)25)10-23-14-8-4-2-6-12(14)18(26)13-7-3-5-9-15(13)23/h2-9H,10-11H2,1H3,(H,24,25)