2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H22N4O2S/c1-2-10-24-19(17-13-15-8-4-5-9-16(15)26-17)21-22-20(24)27-14-18(25)23-11-6-3-7-12-23/h2,4-5,8-9,13H,1,3,6-7,10-12,14H2