1-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-tert-butylbenzoyl)-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[4-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[4-(4-tert-butylbenzoyl)-3-methylpiperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-[4-(4-tert-butylbenzoyl)-3-methyl-piperazino]-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S/c1-20-18-31(16-17-32(20)27(34)22-10-12-23(13-11-22)28(2,3)4)26(33)19-35-25-15-14-24(29-30-25)21-8-6-5-7-9-21/h5-15,20H,16-19H2,1-4H3