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

Systemtic Name: pyrrolidin-1-yl-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone Openeye Name: pyrrolidin-1-yl-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-yl]methanone CAS Name: 1-pyrrolidinyl-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofuranyl]methanone IUPAC Name: pyrrolidin-1-yl-[3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-yl]methanone Traditional Name: pyrrolidino-[3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzofuran-2-yl]methanone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=NC=NN4

InChI

InChI=1S/C16H16N4O2S/c21-15(20-7-3-4-8-20)14-12(9-23-16-17-10-18-19-16)11-5-1-2-6-13(11)22-14/h1-2,5-6,10H,3-4,7-9H2,(H,17,18,19)