1-(1-adamantyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H31N3O2S2 MolecularWeight: 457.65184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC5CCCO5)C6=CC=CS6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC5CCCO5)C6=CC=CS6

InChI

InChI=1S/C24H31N3O2S2/c1-15(21(28)24-11-16-8-17(12-24)10-18(9-16)13-24)31-23-26-25-22(20-5-3-7-30-20)27(23)14-19-4-2-6-29-19/h3,5,7,15-19H,2,4,6,8-14H2,1H3