(E)-4-(cyanoamino)-3-(4-cyanophenyl)carbonyl-N-(2-methylsulfanylethyl)-2-oxidanylidene-pent-3-enamide

Systemtic Name: (E)-4-(cyanoamino)-3-(4-cyanophenyl)carbonyl-N-(2-methylsulfanylethyl)-2-oxidanylidene-pent-3-enamide Openeye Name: (E)-4-(cyanoamino)-3-(4-cyanobenzoyl)-N-(2-methylsulfanylethyl)-2-oxo-pent-3-enamide CAS Name: (E)-4-(cyanoamino)-3-[(4-cyanophenyl)-oxomethyl]-N-[2-(methylthio)ethyl]-2-oxo-3-pentenamide IUPAC Name: (E)-4-(cyanoamino)-3-(4-cyanobenzoyl)-N-(2-methylsulfanylethyl)-2-oxopent-3-enamide Traditional Name: (E)-4-(cyanoamino)-3-(4-cyanobenzoyl)-2-keto-N-[2-(methylthio)ethyl]pent-3-enamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C1=CC=C(C=C1)C#N)C(=O)C(=O)NCCSC)NC#N

Isomeric SMILES

C/C(=C(/C(=O)C1=CC=C(C=C1)C#N)\C(=O)C(=O)NCCSC)/NC#N

InChI

InChI=1S/C17H16N4O3S/c1-11(21-10-19)14(16(23)17(24)20-7-8-25-2)15(22)13-5-3-12(9-18)4-6-13/h3-6,21H,7-8H2,1-2H3,(H,20,24)/b14-11+