4-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(1-amino-4-phenyl-2-imidazolyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(1-amino-4-phenyl-imidazol-2-yl)thio]-3-keto-butyronitrile Formula: C15H15N5OS MolecularWeight: 313.3775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC(=CN1N)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC(=CN1N)C2=CC=CC=C2

InChI

InChI=1S/C15H15N5OS/c1-10(17)12(7-16)14(21)9-22-15-19-13(8-20(15)18)11-5-3-2-4-6-11/h2-6,8,12,17H,9,18H2,1H3