2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)Cl

InChI

InChI=1S/C19H17ClN2O4S/c20-14-8-12(9-16-17(14)26-11-25-16)10-27-19-21-15-5-2-1-4-13(15)18(24)22(19)6-3-7-23/h1-2,4-5,8-9,23H,3,6-7,10-11H2