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

Systemtic Name: 1-(1-adamantyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N3O2S/c1-12-16(3-4-25-12)18-21-22-19(23(18)2)26-11-17(24)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,13-15H,5-11H2,1-2H3