[4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]piperazino]-phenyl-methanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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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)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-18-10-11-19(2)22(17-18)31-23-21(9-6-12-26-23)25(30)28-15-13-27(14-16-28)24(29)20-7-4-3-5-8-20/h3-12,17H,13-16H2,1-2H3