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

Systemtic Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C22H20N2O4S MolecularWeight: 408.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)COC4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)COC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C22H20N2O4S/c1-13-4-6-15(3)18(8-13)26-11-20-23-24-22(28-20)29-12-16-10-21(25)27-19-9-14(2)5-7-17(16)19/h4-10H,11-12H2,1-3H3