5-[5-azanyl-3-(3,4-dichlorophenyl)pentyl]-3-(phenylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

Systemtic Name: 5-[5-azanyl-3-(3,4-dichlorophenyl)pentyl]-3-(phenylmethylsulfanyl)-1H-pyrazolo[4,3-c]pyridazin-6-one Openeye Name: 5-[5-amino-3-(3,4-dichlorophenyl)pentyl]-3-benzylsulfanyl-1H-pyrazolo[4,3-c]pyridazin-6-one CAS Name: 5-[5-amino-3-(3,4-dichlorophenyl)pentyl]-3-(phenylmethylthio)-1H-pyrazolo[4,3-c]pyridazin-6-one IUPAC Name: 5-[5-amino-3-(3,4-dichlorophenyl)pentyl]-3-benzylsulfanyl-1H-pyrazolo[4,3-c]pyridazin-6-one Traditional Name: 5-[5-amino-3-(3,4-dichlorophenyl)pentyl]-3-(benzylthio)-1H-pyrazolo[4,3-c]pyridazin-6-one Formula: C23H23Cl2N5OS MolecularWeight: 488.43262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC3=CC(=O)N(N=C32)CCC(CCN)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC3=CC(=O)N(N=C32)CCC(CCN)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H23Cl2N5OS/c24-18-7-6-17(12-19(18)25)16(8-10-26)9-11-30-21(31)13-20-22(29-30)23(28-27-20)32-14-15-4-2-1-3-5-15/h1-7,12-13,16,27H,8-11,14,26H2