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

Systemtic Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C24H26N4OS/c1-18-7-8-22(19(2)15-18)30-17-20-5-3-6-21(16-20)23(29)27-11-13-28(14-12-27)24-25-9-4-10-26-24/h3-10,15-16H,11-14,17H2,1-2H3