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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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