S-methyl (Z)-2-cyano-3-[(3-fluorophenyl)methylamino]but-2-enethioate

Systemtic Name: S-methyl (Z)-2-cyano-3-[(3-fluorophenyl)methylamino]but-2-enethioate Openeye Name: S-methyl (Z)-2-cyano-3-[(3-fluorophenyl)methylamino]but-2-enethioate CAS Name: (Z)-2-cyano-3-[(3-fluorophenyl)methylamino]-2-butenethioic acid S-methyl ester IUPAC Name: S-methyl (Z)-2-cyano-3-[(3-fluorophenyl)methylamino]but-2-enethioate Traditional Name: (Z)-2-cyano-3-[(3-fluorobenzyl)amino]but-2-enethioic acid S-methyl ester Formula: C13H13FN2OS MolecularWeight: 264.318523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)SC)NCC1=CC(=CC=C1)F

Isomeric SMILES

C/C(=C(\C#N)/C(=O)SC)/NCC1=CC(=CC=C1)F

InChI

InChI=1S/C13H13FN2OS/c1-9(12(7-15)13(17)18-2)16-8-10-4-3-5-11(14)6-10/h3-6,16H,8H2,1-2H3/b12-9-