2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-6-fluoro-benzonitrile CAS Name: 2-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-6-fluorobenzonitrile IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-6-fluorobenzonitrile Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-6-fluoro-benzonitrile Formula: C17H20FN3OS MolecularWeight: 333.423603

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=C(C(=CC=C2)F)C#N

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C17H20FN3OS/c1-21(2)11-13-6-7-14(22-13)12-23-9-8-20-17-5-3-4-16(18)15(17)10-19/h3-7,20H,8-9,11-12H2,1-2H3