4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-ethyl-coumarin Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H26N2O3S/c1-2-14-3-4-19-18(9-21(27)28-20(19)8-14)13-30-23-26-25-22(29-23)24-10-15-5-16(11-24)7-17(6-15)12-24/h3-4,8-9,15-17H,2,5-7,10-13H2,1H3