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

Systemtic Name: 2-[4-ethyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-ethyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-ethyl-5-[(4-keto-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N6O3S/c1-3-28-19(12-20(29)23-14-8-10-15(31-2)11-9-14)26-27-22(28)32-13-18-24-17-7-5-4-6-16(17)21(30)25-18/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,25,30)