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

Systemtic Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-ethyl-coumarin Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-4-15-5-6-18-17(11-20(25)26-19(18)10-15)12-28-22-24-23-21(27-22)16-8-13(2)7-14(3)9-16/h5-11H,4,12H2,1-3H3