piperidin-1-yl-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone

Systemtic Name: piperidin-1-yl-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone Openeye Name: 1-piperidyl-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-yl]methanone CAS Name: 1-piperidinyl-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofuranyl]methanone IUPAC Name: piperidin-1-yl-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone Traditional Name: piperidino-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzofuran-2-yl]methanone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C17H18N4O2S/c22-16(21-8-4-1-5-9-21)15-13(10-24-17-18-11-19-20-17)12-6-2-3-7-14(12)23-15/h2-3,6-7,11H,1,4-5,8-10H2,(H,18,19,20)