1-(1-adamantyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=CN4CC5=CC=CO5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=CN4CC5=CC=CO5

InChI

InChI=1S/C20H25N3O2S/c1-13(26-19-22-21-12-23(19)11-17-3-2-4-25-17)18(24)20-8-14-5-15(9-20)7-16(6-14)10-20/h2-4,12-16H,5-11H2,1H3