2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Systemtic Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Openeye Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone CAS Name: 2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone IUPAC Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Traditional Name: 2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN2O3S/c21-15-4-1-13(2-5-15)16-7-8-22-20(23-16)27-12-17(24)14-3-6-18-19(11-14)26-10-9-25-18/h1-8,11H,9-10,12H2