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

Systemtic Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-hydroxy-coumarin Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC5=CC(=O)OC6=C5C=CC(=C6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)SCC5=CC(=O)OC6=C5C=CC(=C6)O

InChI

InChI=1S/C22H22N2O4S/c25-16-1-2-17-15(6-19(26)27-18(17)7-16)11-29-21-24-23-20(28-21)22-8-12-3-13(9-22)5-14(4-12)10-22/h1-2,6-7,12-14,25H,3-5,8-11H2