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

Systemtic Name: 4-methyl-6-oxidanylidene-3-[(E)-2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]ethenyl]-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 4-methyl-6-oxo-3-[(E)-2-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]ethenyl]-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C22H17N5OS MolecularWeight: 399.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN=C1C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=O)NN=C1/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H17N5OS/c1-15-18(12-23)22(28)25-24-19(15)10-9-17-14-27(13-16-6-3-2-4-7-16)26-21(17)20-8-5-11-29-20/h2-11,14H,13H2,1H3,(H,25,28)/b10-9+