2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(7-methoxy-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H17N5O3S MolecularWeight: 419.45638

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3S/c1-26-19(16-10-12-6-5-9-15(28-2)18(12)29-16)24-25-21(26)30-11-17-22-14-8-4-3-7-13(14)20(27)23-17/h3-10H,11H2,1-2H3,(H,22,23,27)