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

Systemtic Name: 3,3-dimethyl-1-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC2CCCO2)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC2CCCO2)C3=CC=CS3

InChI

InChI=1S/C17H23N3O2S2/c1-17(2,3)14(21)11-24-16-19-18-15(13-7-5-9-23-13)20(16)10-12-6-4-8-22-12/h5,7,9,12H,4,6,8,10-11H2,1-3H3