6-[2-(dimethylaminomethyl)phenyl]sulfanyl-2-fluoranyl-3-isocyano-aniline

Systemtic Name: 6-[2-(dimethylaminomethyl)phenyl]sulfanyl-2-fluoranyl-3-isocyano-aniline Openeye Name: 6-[2-(dimethylaminomethyl)phenyl]sulfanyl-2-fluoro-3-isocyano-aniline CAS Name: 6-[[2-(dimethylaminomethyl)phenyl]thio]-2-fluoro-3-isocyanoaniline IUPAC Name: 6-[2-(dimethylaminomethyl)phenyl]sulfanyl-2-fluoro-3-isocyanoaniline Traditional Name: [2-[(2-amino-3-fluoro-4-isocyano-phenyl)thio]benzyl]-dimethyl-amine Formula: C16H16FN3S MolecularWeight: 301.381743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=C(C(=C(C=C2)[N+]#[C-])F)N

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=C(C(=C(C=C2)[N+]#[C-])F)N

InChI

InChI=1S/C16H16FN3S/c1-19-12-8-9-14(16(18)15(12)17)21-13-7-5-4-6-11(13)10-20(2)3/h4-9H,10,18H2,2-3H3