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

Systemtic Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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