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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H22N6O3S/c1-3-31-15-10-8-14(9-11-15)23-20(29)12-19-26-27-22(28(19)2)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)