2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2S/c1-21(2,3)14-10-8-13(9-11-14)19-24-25-20(27-19)28-12-17-22-16-7-5-4-6-15(16)18(26)23-17/h4-11H,12H2,1-3H3,(H,22,23,26)