[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CNC4=S

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CNC4=S

InChI

InChI=1S/C19H21N3O2S/c23-19(16-2-1-6-20-18(16)25)22-9-7-21(8-10-22)13-14-3-4-17-15(12-14)5-11-24-17/h1-4,6,12H,5,7-11,13H2,(H,20,25)