1-(1-benzofuran-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(1-benzofuran-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(benzofuran-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(2-benzofuranyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(benzofuran-2-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NC=NN3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C12H9N3O2S/c16-9(6-18-12-13-7-14-15-12)11-5-8-3-1-2-4-10(8)17-11/h1-5,7H,6H2,(H,13,14,15)