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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H25N5O2S/c1-2-12-30-24(22-17-19-8-6-7-11-21(19)32-22)26-27-25(30)33-18-23(31)29-15-13-28(14-16-29)20-9-4-3-5-10-20/h2-11,17H,1,12-16,18H2