2-[4-ethyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-ethyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-ethyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C22H22N6O2S/c1-3-28-19(12-20(29)24-16-10-6-4-8-14(16)2)26-27-22(28)31-13-18-23-17-11-7-5-9-15(17)21(30)25-18/h4-11H,3,12-13H2,1-2H3,(H,24,29)(H,23,25,30)