(E)-3-azanyl-2-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetyl]but-2-enenitrile Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)C(=C(C)N)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)/C(=C(\C)/N)/C#N)C

InChI

InChI=1S/C15H16N6OS/c1-9-6-10(2)21(20-9)14-4-5-15(19-18-14)23-8-13(22)12(7-16)11(3)17/h4-6H,8,17H2,1-3H3/b12-11+