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

Systemtic Name: 7-bromanyl-4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H17BrN2O4S/c1-12-3-4-13(2)17(7-12)26-10-19-23-24-21(28-19)29-11-14-8-20(25)27-18-9-15(22)5-6-16(14)18/h3-9H,10-11H2,1-2H3