2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C21H20N4O3S/c1-12-7-8-13(2)16(9-12)27-10-18-24-25-21(28-18)29-11-17-22-19-14(3)5-4-6-15(19)20(26)23-17/h4-9H,10-11H2,1-3H3,(H,22,23,26)