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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C1=NN=C(N1C)SCC2=NC(=O)C3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N6O3S/c1-13(23-20(29)14-8-10-15(31-3)11-9-14)19-26-27-22(28(19)2)32-12-18-24-17-7-5-4-6-16(17)21(30)25-18/h4-11,13H,12H2,1-3H3,(H,23,29)(H,24,25,30)