1-(1-adamantyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-pyrrolidin-1-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-(2-oxolanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-pyrrolidino-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H34N4O2S MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2CC3CCCO3)SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2CC3CCCO3)SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H34N4O2S/c28-20(23-11-16-8-17(12-23)10-18(9-16)13-23)15-30-22-25-24-21(26-5-1-2-6-26)27(22)14-19-4-3-7-29-19/h16-19H,1-15H2