(E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)amino]prop-2-enenitrile Openeye Name: (E)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(3-fluoroanilino)prop-2-enenitrile CAS Name: (E)-2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(3-fluoroanilino)-2-propenenitrile IUPAC Name: (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-fluoroanilino)prop-2-enenitrile Traditional Name: (E)-2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(3-fluoroanilino)acrylonitrile Formula: C21H11BrFN3O2S MolecularWeight: 468.298343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1=CC(=CC(=C1)F)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C21H11BrFN3O2S/c22-14-4-5-19-12(6-14)7-17(21(27)28-19)18-11-29-20(26-18)13(9-24)10-25-16-3-1-2-15(23)8-16/h1-8,10-11,25H/b13-10+