(2S)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N,N-diethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N,N-diethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N,N-diethyl-2-phenyl-acetamide CAS Name: (2S)-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N,N-diethyl-2-phenylacetamide IUPAC Name: (2S)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N,N-diethyl-2-phenylacetamide Traditional Name: (2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-N,N-diethyl-2-phenyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NN=C(C=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(C=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C21H25N5OS/c1-5-25(6-2)21(27)20(17-10-8-7-9-11-17)28-19-13-12-18(22-23-19)26-16(4)14-15(3)24-26/h7-14,20H,5-6H2,1-4H3/t20-/m0/s1