2-[5-[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-[6,8-bis(bromanyl)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[5-(6,8-dibromo-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile CAS Name: 2-[5-(6,8-dibromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[5-(6,8-dibromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[5-(6,8-dibromo-2-keto-chromen-3-yl)thiazol-2-yl]acetonitrile Formula: C14H6Br2N2O2S MolecularWeight: 426.08264

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=O)OC2=C(C=C1Br)Br)C3=CN=C(S3)CC#N

Isomeric SMILES

C1=C2C=C(C(=O)OC2=C(C=C1Br)Br)C3=CN=C(S3)CC#N

InChI

InChI=1S/C14H6Br2N2O2S/c15-8-3-7-4-9(11-6-18-12(21-11)1-2-17)14(19)20-13(7)10(16)5-8/h3-6H,1H2