3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonyl-5-ethyl-pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbonyl-5-ethyl-pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-5-ethyl-pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-ethyl-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-5-ethylpyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbonyl]-5-ethyl-pyrazol-1-yl]-1H-pyridazin-6-one Formula: C24H30N6O4S MolecularWeight: 498.5978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C24H30N6O4S/c1-5-20-19(16-25-30(20)21-10-11-22(31)27-26-21)23(32)28-12-14-29(15-13-28)35(33,34)18-8-6-17(7-9-18)24(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H,27,31)