6-bromanyl-3-[4-(4-butylphenyl)-1,3-thiazol-2-yl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[4-(4-butylphenyl)-1,3-thiazol-2-yl]chromen-2-one Openeye Name: 6-bromo-3-[4-(4-butylphenyl)thiazol-2-yl]chromen-2-one CAS Name: 6-bromo-3-[4-(4-butylphenyl)-2-thiazolyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(4-butylphenyl)-1,3-thiazol-2-yl]chromen-2-one Traditional Name: 6-bromo-3-[4-(4-butylphenyl)thiazol-2-yl]coumarin Formula: C22H18BrNO2S MolecularWeight: 440.35282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H18BrNO2S/c1-2-3-4-14-5-7-15(8-6-14)19-13-27-21(24-19)18-12-16-11-17(23)9-10-20(16)26-22(18)25/h5-13H,2-4H2,1H3