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

Systemtic Name: (E)-3-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]-1-(1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]-1-piperidino-prop-2-en-1-one Formula: C20H19BrClNOS MolecularWeight: 436.79296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3Br)Cl

InChI

InChI=1S/C20H19BrClNOS/c21-16-6-2-3-7-18(16)25-19-10-8-15(14-17(19)22)9-11-20(24)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2/b11-9+