(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(3-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(3-pyridinylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-(3-pyridylmethyl)piperazino]methanone Formula: C18H20ClN3OS MolecularWeight: 361.8889

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H20ClN3OS/c1-24-15-4-5-17(19)16(11-15)18(23)22-9-7-21(8-10-22)13-14-3-2-6-20-12-14/h2-6,11-12H,7-10,13H2,1H3