ethyl 5-azanyl-4-cyano-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C18H18N6O2S2/c1-4-26-18(25)16-13(12(8-19)17(20)28-16)9-27-15-6-5-14(21-22-15)24-11(3)7-10(2)23-24/h5-7H,4,9,20H2,1-3H3