N-butyl-2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-butyl-2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-butyl-2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-butyl-2-[(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-butyl-2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-butyl-2-[(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(C2=C(N(N=C21)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(C2=C(N(N=C21)C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H23N5OS/c1-4-5-11-20-16(25)12-26-19-18-17(13(2)21-22-19)14(3)24(23-18)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,20,25)