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

Systemtic Name: 4-methoxy-N-[[4-methyl-5-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[4-methyl-5-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-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]-4-methoxy-benzamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3S/c1-27-18(11-22-19(28)13-7-9-14(30-2)10-8-13)25-26-21(27)31-12-17-23-16-6-4-3-5-15(16)20(29)24-17/h3-10H,11-12H2,1-2H3,(H,22,28)(H,23,24,29)