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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O3S/c1-28-19(11-12-23-20(29)14-7-9-15(31-2)10-8-14)26-27-22(28)32-13-18-24-17-6-4-3-5-16(17)21(30)25-18/h3-10H,11-13H2,1-2H3,(H,23,29)(H,24,25,30)