3-[(4S)-2-(2-cyanoethylsulfanyl)-4-methyl-5-oxidanylidene-1-phenyl-imidazol-4-yl]propanenitrile

Systemtic Name: 3-[(4S)-2-(2-cyanoethylsulfanyl)-4-methyl-5-oxidanylidene-1-phenyl-imidazol-4-yl]propanenitrile Openeye Name: 3-[(4S)-2-(2-cyanoethylsulfanyl)-4-methyl-5-oxo-1-phenyl-imidazol-4-yl]propanenitrile CAS Name: 3-[(4S)-2-(2-cyanoethylthio)-4-methyl-5-oxo-1-phenyl-4-imidazolyl]propanenitrile IUPAC Name: 3-[(4S)-2-(2-cyanoethylsulfanyl)-4-methyl-5-oxo-1-phenylimidazol-4-yl]propanenitrile Traditional Name: 3-[(4S)-2-(2-cyanoethylthio)-5-keto-4-methyl-1-phenyl-2-imidazolin-4-yl]propionitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SCCC#N)C2=CC=CC=C2)CCC#N

Isomeric SMILES

C[C@@]1(C(=O)N(C(=N1)SCCC#N)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C16H16N4OS/c1-16(9-5-10-17)14(21)20(13-7-3-2-4-8-13)15(19-16)22-12-6-11-18/h2-4,7-8H,5-6,9,12H2,1H3/t16-/m0/s1