2-[[5-(1-benzofuran-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[[5-(benzofuran-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(benzofuran-2-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-1-(4-benzylpiperazino)ethanone Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H29N5O3S/c1-33-16-15-31-25(23-17-21-9-5-6-10-22(21)34-23)27-28-26(31)35-19-24(32)30-13-11-29(12-14-30)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18-19H2,1H3