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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2S/c1-7(15)6-17-11-13-12-10(14(11)3)9-4-5-16-8(9)2/h4-5H,6H2,1-3H3