2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-3-26-20(18-9-14-28-16(18)2)22-23-21(26)29-15-19(27)25-12-10-24(11-13-25)17-7-5-4-6-8-17/h4-9,14H,3,10-13,15H2,1-2H3