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

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzofuran-2-carboximidate CAS Name: 3-[(cyclohexylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)-2-benzofurancarboximidate IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboximidate Traditional Name: 3-[(cyclohexylthio)methyl]-N-(1H-1,2,4-triazol-5-yl)benzofuran-2-carboximidate Formula: C18H19N4O2S- MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=NC4=NC=NN4)[O-]

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=NC4=NC=NN4)[O-]

InChI

InChI=1S/C18H20N4O2S/c23-17(21-18-19-11-20-22-18)16-14(10-25-12-6-2-1-3-7-12)13-8-4-5-9-15(13)24-16/h4-5,8-9,11-12H,1-3,6-7,10H2,(H2,19,20,21,22,23)/p-1