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

Systemtic Name: (2S)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: (2S)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: (2S)-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: (2S)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: (2S)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SC3CCCCC3=O

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)S[C@H]3CCCCC3=O

InChI

InChI=1S/C14H17N3O2S/c1-9-10(7-8-19-9)13-15-16-14(17(13)2)20-12-6-4-3-5-11(12)18/h7-8,12H,3-6H2,1-2H3/t12-/m0/s1