3-[(phenylmethylsulfanyl)methyl]-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate

Systemtic Name: 3-[(phenylmethylsulfanyl)methyl]-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate Openeye Name: 3-(benzylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzofuran-2-carboximidate CAS Name: 3-[(phenylmethylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)-2-benzofurancarboximidate IUPAC Name: 3-(benzylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate Traditional Name: 3-[(benzylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)benzofuran-2-carboximidate Formula: C19H15N4O2S- MolecularWeight: 363.413

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=NC4=NC=NN4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=NC4=NC=NN4)[O-]

InChI

InChI=1S/C19H16N4O2S/c24-18(22-19-20-12-21-23-19)17-15(14-8-4-5-9-16(14)25-17)11-26-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,20,21,22,23,24)/p-1