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

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]methanone Traditional Name: [4-(2-methoxyphenyl)piperazino]-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]phenyl]methanone Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2S/c1-35-27-13-6-5-12-26(27)32-16-18-33(19-17-32)29(34)24-11-7-8-22(20-24)21-36-28-15-14-25(30-31-28)23-9-3-2-4-10-23/h2-15,20H,16-19,21H2,1H3