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

Systemtic Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-[4-(2-pyrazinyl)-1-piperazinyl]methanone IUPAC Name: [3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-(4-pyrazin-2-ylpiperazino)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=CN=C4)C

Isomeric SMILES

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

InChI

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