2-azanyl-1-[4-(3-bromanylpropylsulfanyl)-3-propyl-phenyl]ethanone

Systemtic Name: 2-azanyl-1-[4-(3-bromanylpropylsulfanyl)-3-propyl-phenyl]ethanone Openeye Name: 2-amino-1-[4-(3-bromopropylsulfanyl)-3-propyl-phenyl]ethanone CAS Name: 2-amino-1-[4-(3-bromopropylthio)-3-propylphenyl]ethanone IUPAC Name: 2-amino-1-[4-(3-bromopropylsulfanyl)-3-propylphenyl]ethanone Traditional Name: 2-amino-1-[4-(3-bromopropylthio)-3-propyl-phenyl]ethanone Formula: C14H20BrNOS MolecularWeight: 330.2837

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CN)SCCCBr

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CN)SCCCBr

InChI

InChI=1S/C14H20BrNOS/c1-2-4-12-9-11(13(17)10-16)5-6-14(12)18-8-3-7-15/h5-6,9H,2-4,7-8,10,16H2,1H3