3,3-dimethyl-1-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C17H28N4O2S MolecularWeight: 352.49482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC2CCCO2)C3CCCN3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC2CCCO2)C3CCCN3

InChI

InChI=1S/C17H28N4O2S/c1-17(2,3)14(22)11-24-16-20-19-15(13-7-4-8-18-13)21(16)10-12-6-5-9-23-12/h12-13,18H,4-11H2,1-3H3