[4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone

Systemtic Name: [4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-(4-hydroxyphenyl)methanone Openeye Name: [4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone CAS Name: [4-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-(4-hydroxyphenyl)methanone IUPAC Name: [4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone Traditional Name: [4-[2-[(3,4-dimethylphenyl)thio]nicotinoyl]piperazino]-(4-hydroxyphenyl)methanone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-17-5-10-21(16-18(17)2)32-23-22(4-3-11-26-23)25(31)28-14-12-27(13-15-28)24(30)19-6-8-20(29)9-7-19/h3-11,16,29H,12-15H2,1-2H3