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

Systemtic Name: 2-[2-(4-chlorophenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[2-(4-chlorophenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[2-(4-chlorophenyl)-3,4-dimethyl-7-pyrazolo[3,4-d]pyridazinyl]thio]-N-propylacetamide IUPAC Name: 2-[2-(4-chlorophenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[2-(4-chlorophenyl)-3,4-dimethyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]-N-propyl-acetamide Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5OS/c1-4-9-20-15(25)10-26-18-17-16(11(2)21-22-18)12(3)24(23-17)14-7-5-13(19)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,20,25)