2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(5-bromo-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H14BrN5O2S MolecularWeight: 468.32646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C20H14BrN5O2S/c1-26-18(16-9-11-8-12(21)6-7-15(11)28-16)24-25-20(26)29-10-17-22-14-5-3-2-4-13(14)19(27)23-17/h2-9H,10H2,1H3,(H,22,23,27)