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

Systemtic Name: 4-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C23H14ClN3O3S MolecularWeight: 447.89356

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)Cl

InChI

InChI=1S/C23H14ClN3O3S/c24-18-9-15(10-20-21(18)30-13-29-20)12-31-23-26-19-4-2-1-3-17(19)22(28)27(23)16-7-5-14(11-25)6-8-16/h1-10H,12-13H2