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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C25H17N5O2S MolecularWeight: 451.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C25H17N5O2S/c31-24-18-11-5-6-12-19(18)26-22(27-24)15-33-25-29-28-23(30(25)17-9-2-1-3-10-17)21-14-16-8-4-7-13-20(16)32-21/h1-14H,15H2,(H,26,27,31)