3,3-dimethyl-1-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3,3-dimethyl-1-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C(C)(C)C

InChI

InChI=1S/C14H19N3O2S/c1-9-10(6-7-19-9)12-15-16-13(17(12)5)20-8-11(18)14(2,3)4/h6-7H,8H2,1-5H3