ethyl (E)-3-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-cyano-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-cyano-3-sulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-[2-(4-chlorobenzoyl)hydrazino]-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: (E)-3-[[(4-chlorophenyl)-oxomethyl]hydrazo]-2-cyano-3-mercapto-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(4-chlorobenzoyl)hydrazinyl]-2-cyano-3-sulfanylprop-2-enoate Traditional Name: (E)-3-[N'-(4-chlorobenzoyl)hydrazino]-2-cyano-3-mercapto-acrylic acid ethyl ester Formula: C13H12ClN3O3S MolecularWeight: 325.77068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NNC(=O)C1=CC=C(C=C1)Cl)S)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NNC(=O)C1=CC=C(C=C1)Cl)/S)/C#N

InChI

InChI=1S/C13H12ClN3O3S/c1-2-20-13(19)10(7-15)12(21)17-16-11(18)8-3-5-9(14)6-4-8/h3-6,17,21H,2H2,1H3,(H,16,18)/b12-10+