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

Systemtic Name: 3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1C)C2=CC=CO2

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1C)C2=CC=CO2

InChI

InChI=1S/C11H13N3O2S/c1-7(15)8(2)17-11-13-12-10(14(11)3)9-5-4-6-16-9/h4-6,8H,1-3H3