4-(1,3-benzodioxol-5-ylmethylsulfanyl)-2,5,6-tris(chloranyl)quinazoline

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-2,5,6-tris(chloranyl)quinazoline Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-2,5,6-trichloro-quinazoline CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)-2,5,6-trichloroquinazoline IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-2,5,6-trichloroquinazoline Traditional Name: 2,5,6-trichloro-4-(piperonylthio)quinazoline Formula: C16H9Cl3N2O2S MolecularWeight: 399.67886

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CSC3=NC(=NC4=C3C(=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CSC3=NC(=NC4=C3C(=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C16H9Cl3N2O2S/c17-9-2-3-10-13(14(9)18)15(21-16(19)20-10)24-6-8-1-4-11-12(5-8)23-7-22-11/h1-5H,6-7H2