[4-(phenylmethyl)piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Traditional Name: (4-benzylpiperazino)-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]phenyl]methanone Formula: C29H28N4OS MolecularWeight: 480.62382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4OS/c34-29(33-18-16-32(17-19-33)21-23-8-3-1-4-9-23)26-13-7-10-24(20-26)22-35-28-15-14-27(30-31-28)25-11-5-2-6-12-25/h1-15,20H,16-19,21-22H2