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

Systemtic Name: 3,4-dimethoxy-N-[[4-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[(4-keto-1H-quinazolin-2-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H22N6O4S/c1-28-19(11-23-20(29)13-8-9-16(31-2)17(10-13)32-3)26-27-22(28)33-12-18-24-15-7-5-4-6-14(15)21(30)25-18/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,25,30)