3-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-(4-bromanylthiophen-2-yl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(4-bromo-2-thienyl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-(4-bromo-2-thiophenyl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-(4-bromothiophen-2-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-(4-bromo-2-thienyl)vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C12H8BrN3OS MolecularWeight: 322.18042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CC(=CS2)Br)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CC(=CS2)Br)C#N

InChI

InChI=1S/C12H8BrN3OS/c1-7-10(5-14)12(17)16-15-11(7)3-2-9-4-8(13)6-18-9/h2-4,6H,1H3,(H,16,17)/b3-2+