2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-oxolanylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(tetrahydrofurfuryl)piperazino]ethanone Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3CCCO3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3CCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5O2S/c1-2-26-20(17-7-4-3-5-8-17)22-23-21(26)29-16-19(27)25-12-10-24(11-13-25)15-18-9-6-14-28-18/h3-5,7-8,18H,2,6,9-16H2,1H3