4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[2-(2,5-dimethylphenyl)sulfanylpyridin-3-yl]carbonylpiperazin-2-one Openeye Name: 4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-2-one CAS Name: 4-[[2-[(2,5-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperazin-2-one Traditional Name: 4-[2-[(2,5-dimethylphenyl)thio]nicotinoyl]piperazin-2-one Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H19N3O2S/c1-12-5-6-13(2)15(10-12)24-17-14(4-3-7-20-17)18(23)21-9-8-19-16(22)11-21/h3-7,10H,8-9,11H2,1-2H3,(H,19,22)