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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H17N5O2S MolecularWeight: 415.46768

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H17N5O2S/c1-2-11-27-20(18-12-14-7-3-6-10-17(14)29-18)25-26-22(27)30-13-19-23-16-9-5-4-8-15(16)21(28)24-19/h2-10,12H,1,11,13H2,(H,23,24,28)