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

Systemtic Name: 7-bromanyl-4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]coumarin Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br)C

InChI

InChI=1S/C20H15BrN2O3S/c1-11-3-4-13(7-12(11)2)19-22-23-20(26-19)27-10-14-8-18(24)25-17-9-15(21)5-6-16(14)17/h3-9H,10H2,1-2H3