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

Systemtic Name: ethyl 2-[[4-methyl-5-[(9-oxidanylideneacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-methyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(9-oxo-10-acridinyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-5-[(9-oxoacridin-10-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(9-ketoacridin-10-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

InChI

InChI=1S/C21H20N4O3S/c1-3-28-19(26)13-29-21-23-22-18(24(21)2)12-25-16-10-6-4-8-14(16)20(27)15-9-5-7-11-17(15)25/h4-11H,3,12-13H2,1-2H3