2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-quinazoline

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-quinazoline Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-quinazoline CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenylquinazoline IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenylquinazoline Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-quinazoline Formula: C22H15ClN2O2S MolecularWeight: 406.8847

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H15ClN2O2S/c23-17-11-20-19(26-13-27-20)10-15(17)12-28-22-24-18-9-5-4-8-16(18)21(25-22)14-6-2-1-3-7-14/h1-11H,12-13H2