(2R)-4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]-3-keto-butyronitrile Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)C(C#N)C(=N)C)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)[C@@H](C#N)C(=N)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H22N4OS/c1-14-4-8-17(9-5-14)21-22(18-10-6-15(2)7-11-18)27-23(26-21)29-13-20(28)19(12-24)16(3)25/h4-11,19,25H,13H2,1-3H3,(H,26,27)/t19-/m0/s1