4-[[2-ethylimino-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-ethylimino-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[[2-ethylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-3-yl]iminomethyl]benzonitrile CAS Name: 4-[[2-ethylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-thiazolyl]iminomethyl]benzonitrile IUPAC Name: 4-[[2-ethylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile Traditional Name: 4-[[2-ethylimino-4-(3-keto-4H-1,4-benzoxazin-6-yl)-4-thiazolin-3-yl]iminomethyl]benzonitrile Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17N5O2S/c1-2-23-21-26(24-11-15-5-3-14(10-22)4-6-15)18(13-29-21)16-7-8-19-17(9-16)25-20(27)12-28-19/h3-9,11,13H,2,12H2,1H3,(H,25,27)