(3S)-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylazepan-2-one

Systemtic Name: (3S)-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylazepan-2-one Openeye Name: (3S)-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylazepan-2-one CAS Name: (3S)-3-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-2-azepanone IUPAC Name: (3S)-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylazepan-2-one Traditional Name: (3S)-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]azepan-2-one Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC3CCCCNC3=O)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)S[C@H]3CCCCNC3=O)C

InChI

InChI=1S/C15H19N5OS/c1-10-9-11(2)20(19-10)13-6-7-14(18-17-13)22-12-5-3-4-8-16-15(12)21/h6-7,9,12H,3-5,8H2,1-2H3,(H,16,21)/t12-/m0/s1