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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H22N6O2S/c1-3-14-8-4-6-10-16(14)24-20(29)12-19-26-27-22(28(19)2)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)