[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [2-(2,5-dimethylphenyl)sulfanyl-3-pyridyl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-[(2,5-dimethylphenyl)thio]-3-pyridyl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

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