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

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(5-bromo-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H16BrN5O2S MolecularWeight: 482.35304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(O4)C=CC(=C5)Br

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=C(O4)C=CC(=C5)Br

InChI

InChI=1S/C21H16BrN5O2S/c1-2-27-19(17-10-12-9-13(22)7-8-16(12)29-17)25-26-21(27)30-11-18-23-15-6-4-3-5-14(15)20(28)24-18/h3-10H,2,11H2,1H3,(H,23,24,28)