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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N4O2S/c1-3-10-25-20(18-13-16-6-4-5-7-17(16)27-18)22-23-21(25)28-14-19(26)24-11-8-15(2)9-12-24/h3-7,13,15H,1,8-12,14H2,2H3