[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

Systemtic Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Openeye Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-[4-(4-pyridyl)piperazin-1-yl]methanone CAS Name: [3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-(4-pyridin-4-yl-1-piperazinyl)methanone IUPAC Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Traditional Name: [3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-[4-(4-pyridyl)piperazino]methanone Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=CC=NC=C4)C

InChI

InChI=1S/C25H27N3OS/c1-19-6-7-24(20(2)16-19)30-18-21-4-3-5-22(17-21)25(29)28-14-12-27(13-15-28)23-8-10-26-11-9-23/h3-11,16-17H,12-15,18H2,1-2H3