2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1H-quinazolin-4-one Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=O)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C16H11ClN2O3S/c17-11-6-14-13(21-8-22-14)5-9(11)7-23-16-18-12-4-2-1-3-10(12)15(20)19-16/h1-6H,7-8H2,(H,18,19,20)