3-[(E)-2-(5-bromanyl-2-prop-2-ynoxy-phenyl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-(5-bromanyl-2-prop-2-ynoxy-phenyl)ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-(5-bromo-2-prop-2-ynoxy-phenyl)vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-(5-bromo-2-prop-2-ynoxyphenyl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-(5-bromo-2-prop-2-ynoxyphenyl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-(5-bromo-2-propargyloxy-phenyl)vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C17H12BrN3O2 MolecularWeight: 370.20008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=C(C=CC(=C2)Br)OCC#C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O2/c1-3-8-23-16-7-5-13(18)9-12(16)4-6-15-11(2)14(10-19)17(22)21-20-15/h1,4-7,9H,8H2,2H3,(H,21,22)/b6-4+