5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[(4-benzofuro[3,2-d]pyrimidinylthio)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-[(benzofuro[3,2-d]pyrimidin-4-ylthio)methyl]-3-pyrazolin-3-one Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC(=O)NN4

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC(=O)NN4

InChI

InChI=1S/C14H10N4O2S/c19-11-5-8(17-18-11)6-21-14-13-12(15-7-16-14)9-3-1-2-4-10(9)20-13/h1-5,7H,6H2,(H2,17,18,19)