4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]quinazoline

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]quinazoline Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]quinazoline CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]quinazoline IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]quinazoline Traditional Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]quinazoline Formula: C16H11BrN2O2S MolecularWeight: 375.23974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=NC4=CC=CC=C43)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=NC4=CC=CC=C43)Br

InChI

InChI=1S/C16H11BrN2O2S/c17-12-6-15-14(20-9-21-15)5-10(12)7-22-16-11-3-1-2-4-13(11)18-8-19-16/h1-6,8H,7,9H2