4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(1-adamantyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C45CC6CC(C4)CC(C6)C5)C

InChI

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