(E)-2-cyano-3-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]prop-2-enethioamide

Systemtic Name: (E)-2-cyano-3-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]prop-2-enethioamide Openeye Name: (E)-2-cyano-3-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethyl-phenyl]prop-2-enethioamide CAS Name: (E)-2-cyano-3-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethylphenyl]-2-propenethioamide IUPAC Name: (E)-2-cyano-3-[3-[(4-fluorophenyl)sulfanylmethyl]-2,5-dimethylphenyl]prop-2-enethioamide Traditional Name: (E)-2-cyano-3-[3-[[(4-fluorophenyl)thio]methyl]-2,5-dimethyl-phenyl]thioacrylamide Formula: C19H17FN2S2 MolecularWeight: 356.480083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=S)N)C)CSC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=S)N)C)CSC2=CC=C(C=C2)F

InChI

InChI=1S/C19H17FN2S2/c1-12-7-14(9-15(10-21)19(22)23)13(2)16(8-12)11-24-18-5-3-17(20)4-6-18/h3-9H,11H2,1-2H3,(H2,22,23)/b15-9+