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

Systemtic Name: 1-[[5-(1-azanylpropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(1-aminopropyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(1-aminopropyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(1-aminopropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(1-aminopropyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C16H28N4O2S MolecularWeight: 340.48412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2CCCO2)SCC(=O)C(C)(C)C)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2CCCO2)SCC(=O)C(C)(C)C)N

InChI

InChI=1S/C16H28N4O2S/c1-5-12(17)14-18-19-15(23-10-13(21)16(2,3)4)20(14)9-11-7-6-8-22-11/h11-12H,5-10,17H2,1-4H3