2-[[4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethylphenyl)ethanone

Systemtic Name: 2-[[4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethylphenyl)ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-[[5-(2-furyl)-4-(1-norbornan-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dimethylphenyl)ethanone IUPAC Name: 2-[[4-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethylphenyl)ethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[[5-(2-furyl)-4-[1-(2-norbornyl)ethyl]-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C(C)C3CC4CCC3C4)C5=CC=CO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C(C)C3CC4CCC3C4)C5=CC=CO5)C

InChI

InChI=1S/C25H29N3O2S/c1-15-6-8-20(11-16(15)2)22(29)14-31-25-27-26-24(23-5-4-10-30-23)28(25)17(3)21-13-18-7-9-19(21)12-18/h4-6,8,10-11,17-19,21H,7,9,12-14H2,1-3H3