2-(3-chloranyl-4-sulfanyl-phenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-(3-chloranyl-4-sulfanyl-phenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-(3-chloro-4-sulfanyl-phenyl)-1-[4-(2-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 2-(3-chloro-4-mercaptophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-(3-chloro-4-sulfanylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 2-(3-chloro-4-mercapto-phenyl)-1-[4-(2-pyridyl)piperazino]prop-2-en-1-one Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H18ClN3OS/c1-13(14-5-6-16(24)15(19)12-14)18(23)22-10-8-21(9-11-22)17-4-2-3-7-20-17/h2-7,12,24H,1,8-11H2