2-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[2-methyl-4-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[2-methyl-4-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]piperazino]propan-1-one Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O2S/c1-19(2)26(32)31-15-14-30(17-20(31)3)27(33)23-11-7-8-21(16-23)18-34-25-13-12-24(28-29-25)22-9-5-4-6-10-22/h4-13,16,19-20H,14-15,17-18H2,1-3H3