3-(3,5-dinitrophenyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile

Systemtic Name: 3-(3,5-dinitrophenyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile Openeye Name: 3-(3,5-dinitrophenyl)-3-oxo-2-(4-phenylthiazol-2-yl)propanenitrile CAS Name: 3-(3,5-dinitrophenyl)-3-oxo-2-(4-phenyl-2-thiazolyl)propanenitrile IUPAC Name: 3-(3,5-dinitrophenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile Traditional Name: 3-(3,5-dinitrophenyl)-3-keto-2-(4-phenylthiazol-2-yl)propionitrile Formula: C18H10N4O5S MolecularWeight: 394.3608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H10N4O5S/c19-9-15(18-20-16(10-28-18)11-4-2-1-3-5-11)17(23)12-6-13(21(24)25)8-14(7-12)22(26)27/h1-8,10,15H