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

Systemtic Name: cyclopropyl-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]methanone Openeye Name: cyclopropyl-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]methanone CAS Name: cyclopropyl-[2-methyl-4-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: cyclopropyl-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]methanone Traditional Name: cyclopropyl-[2-methyl-4-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]piperazino]methanone Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2S/c1-19-17-30(14-15-31(19)27(33)22-10-11-22)26(32)23-9-5-6-20(16-23)18-34-25-13-12-24(28-29-25)21-7-3-2-4-8-21/h2-9,12-13,16,19,22H,10-11,14-15,17-18H2,1H3