(E)-2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxidanylidene-chromen-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxidanylidene-chromen-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile CAS Name: (E)-2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxo-1-benzopyran-3-yl)-2-propenenitrile IUPAC Name: (E)-2-(4-bromophenyl)sulfonyl-3-(5,7-dimethyl-4-oxochromen-3-yl)prop-2-enenitrile Traditional Name: (E)-2-brosyl-3-(4-keto-5,7-dimethyl-chromen-3-yl)acrylonitrile Formula: C20H14BrNO4S MolecularWeight: 444.29846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)OC=C(C2=O)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H14BrNO4S/c1-12-7-13(2)19-18(8-12)26-11-14(20(19)23)9-17(10-22)27(24,25)16-5-3-15(21)4-6-16/h3-9,11H,1-2H3/b17-9+