N-(2-cyanoethyl)-2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(1-methyl-2-imidazolyl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(1-methylimidazol-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[(1-methylimidazol-2-yl)thio]-N-phenyl-propionamide Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=CN2C

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=CN2C

InChI

InChI=1S/C16H18N4OS/c1-13(22-16-18-10-12-19(16)2)15(21)20(11-6-9-17)14-7-4-3-5-8-14/h3-5,7-8,10,12-13H,6,11H2,1-2H3