3-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate

Systemtic Name: 3-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate Openeye Name: 3-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzofuran-2-carboximidate CAS Name: 3-[(methylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)-2-benzofurancarboximidate IUPAC Name: 3-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate Traditional Name: 3-[(methylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)benzofuran-2-carboximidate Formula: C13H11N4O2S- MolecularWeight: 287.31704

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C13H12N4O2S/c1-20-6-9-8-4-2-3-5-10(8)19-11(9)12(18)16-13-14-7-15-17-13/h2-5,7H,6H2,1H3,(H2,14,15,16,17,18)/p-1