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

Systemtic Name: 6-chloranyl-4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 6-chloro-4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 6-chloro-4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 6-chloro-4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-ethyl-coumarin Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)C4=CC(=CC(=C4)C)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)C4=CC(=CC(=C4)C)C)Cl

InChI

InChI=1S/C22H19ClN2O3S/c1-4-14-8-19-17(10-18(14)23)16(9-20(26)27-19)11-29-22-25-24-21(28-22)15-6-12(2)5-13(3)7-15/h5-10H,4,11H2,1-3H3