2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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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=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-21(2,3)13-6-4-12(5-7-13)19-25-26-20(28-19)29-11-17-23-16-9-8-14(22)10-15(16)18(27)24-17/h4-10H,11H2,1-3H3,(H,23,24,27)