2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC(=CN1N)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC(=CN1N)C2=CC=CC=C2

InChI

InChI=1S/C18H23N5OS/c1-12(2)18(4,11-19)22-16(24)13(3)25-17-21-15(10-23(17)20)14-8-6-5-7-9-14/h5-10,12-13H,20H2,1-4H3,(H,22,24)