1-[4-(3,5-dimethoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3,5-dimethoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3,5-dimethoxybenzoyl)-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-[4-(3,5-dimethoxybenzoyl)-3-methyl-piperazino]-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O4S/c1-18-16-29(11-12-30(18)26(32)20-13-21(33-2)15-22(14-20)34-3)25(31)17-35-24-10-9-23(27-28-24)19-7-5-4-6-8-19/h4-10,13-15,18H,11-12,16-17H2,1-3H3