(E)-3-[2-chloranyl-4-(4-fluorophenyl)sulfanyl-5-methyl-phenyl]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[2-chloranyl-4-(4-fluorophenyl)sulfanyl-5-methyl-phenyl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[2-chloro-4-(4-fluorophenyl)sulfanyl-5-methyl-phenyl]-1-(1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[2-chloro-4-[(4-fluorophenyl)thio]-5-methylphenyl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-[2-chloro-4-(4-fluorophenyl)sulfanyl-5-methylphenyl]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[2-chloro-4-[(4-fluorophenyl)thio]-5-methyl-phenyl]-1-piperidino-prop-2-en-1-one Formula: C21H21ClFNOS MolecularWeight: 389.913943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C=CC(=O)N2CCCCC2)Cl)SC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C(=C1)/C=C/C(=O)N2CCCCC2)Cl)SC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFNOS/c1-15-13-16(5-10-21(25)24-11-3-2-4-12-24)19(22)14-20(15)26-18-8-6-17(23)7-9-18/h5-10,13-14H,2-4,11-12H2,1H3/b10-5+