(E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioamide

Systemtic Name: (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioamide Openeye Name: (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioamide CAS Name: (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]-2-butenethioamide IUPAC Name: (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioamide Traditional Name: (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioamide Formula: C14H16FN3S MolecularWeight: 277.360343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)F)NC(=C(C#N)C(=S)N)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)F)N/C(=C(\C#N)/C(=S)N)/C

InChI

InChI=1S/C14H16FN3S/c1-3-13(10-4-6-11(15)7-5-10)18-9(2)12(8-16)14(17)19/h4-7,13,18H,3H2,1-2H3,(H2,17,19)/b12-9+