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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C18H12N4O4S/c23-16-11-3-1-2-4-12(11)19-15(20-16)8-27-18-22-21-17(26-18)10-5-6-13-14(7-10)25-9-24-13/h1-7H,8-9H2,(H,19,20,23)