2-ethanimidoyl-4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-ethanimidoyl-4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-ethanimidoyl-4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-4-[(1-methyl-5-phenyl-2-imidazolyl)thio]-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(1-methyl-5-phenyl-imidazol-2-yl)thio]butyronitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC=C(N1C)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC=C(N1C)C2=CC=CC=C2

InChI

InChI=1S/C16H16N4OS/c1-11(18)13(8-17)15(21)10-22-16-19-9-14(20(16)2)12-6-4-3-5-7-12/h3-7,9,13,18H,10H2,1-2H3