2-[7-bromanyl-10,10-bis(oxidanylidene)-9H-thioxanthen-2-yl]propanenitrile

Systemtic Name: 2-[7-bromanyl-10,10-bis(oxidanylidene)-9H-thioxanthen-2-yl]propanenitrile Openeye Name: 2-(7-bromo-10,10-dioxo-9H-thioxanthen-2-yl)propanenitrile CAS Name: 2-(7-bromo-10,10-dioxo-9H-thioxanthen-2-yl)propanenitrile IUPAC Name: 2-(7-bromo-10,10-dioxo-9H-thioxanthen-2-yl)propanenitrile Traditional Name: 2-(7-bromo-10,10-diketo-9H-thioxanthen-2-yl)propionitrile Formula: C16H12BrNO2S MolecularWeight: 362.24098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2)C=C(C=C3)Br

Isomeric SMILES

CC(C#N)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2)C=C(C=C3)Br

InChI

InChI=1S/C16H12BrNO2S/c1-10(9-18)11-2-4-15-12(6-11)7-13-8-14(17)3-5-16(13)21(15,19)20/h2-6,8,10H,7H2,1H3