4-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C24H24N2O3S/c1-14-10-19-17(12-21(27)28-20(19)11-15(14)2)13-30-23-26-25-22(29-23)16-6-8-18(9-7-16)24(3,4)5/h6-12H,13H2,1-5H3