N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[4-(2,6-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[4-(2,6-dimethylphenyl)-5-oxidanylidene-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-[[4-(2,6-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[[4-(2,6-dimethylphenyl)-5-keto-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]thio]acetamide Formula: C23H23N5O4S2 MolecularWeight: 497.58982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)NC5CCS(=O)(=O)C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)NC5CCS(=O)(=O)C5

InChI

InChI=1S/C23H23N5O4S2/c1-14-6-5-7-15(2)20(14)28-21(30)17-8-3-4-9-18(17)27-22(28)25-26-23(27)33-12-19(29)24-16-10-11-34(31,32)13-16/h3-9,16H,10-13H2,1-2H3,(H,24,29)