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

Systemtic Name: 3-[4-(4-butylphenyl)-1,3-thiazol-2-yl]chromen-2-one Openeye Name: 3-[4-(4-butylphenyl)thiazol-2-yl]chromen-2-one CAS Name: 3-[4-(4-butylphenyl)-2-thiazolyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-butylphenyl)-1,3-thiazol-2-yl]chromen-2-one Traditional Name: 3-[4-(4-butylphenyl)thiazol-2-yl]coumarin Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H19NO2S/c1-2-3-6-15-9-11-16(12-10-15)19-14-26-21(23-19)18-13-17-7-4-5-8-20(17)25-22(18)24/h4-5,7-14H,2-3,6H2,1H3