[4-[2-(2-chlorophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-cyclopropyl-methanone

Systemtic Name: [4-[2-(2-chlorophenyl)sulfanylpyridin-3-yl]carbonylpiperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[2-(2-chlorophenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[[2-[(2-chlorophenyl)thio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-[2-(2-chlorophenyl)sulfanylpyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[2-[(2-chlorophenyl)thio]nicotinoyl]piperazino]-cyclopropyl-methanone Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4Cl

InChI

InChI=1S/C20H20ClN3O2S/c21-16-5-1-2-6-17(16)27-18-15(4-3-9-22-18)20(26)24-12-10-23(11-13-24)19(25)14-7-8-14/h1-6,9,14H,7-8,10-13H2