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

Systemtic Name: 4-[(E)-[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[(E)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-thiazol-3-yl]iminomethyl]benzonitrile CAS Name: 4-[(E)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-3-thiazolyl]iminomethyl]benzonitrile IUPAC Name: 4-[(E)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile Traditional Name: 4-[(E)-[4-(3-keto-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-4-thiazolin-3-yl]iminomethyl]benzonitrile Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=NCCC4=CC=CC=C4)N3N=CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=NCCC4=CC=CC=C4)N3/N=C/C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H21N5O2S/c28-15-20-6-8-21(9-7-20)16-30-32-24(22-10-11-25-23(14-22)31-26(33)17-34-25)18-35-27(32)29-13-12-19-4-2-1-3-5-19/h1-11,14,16,18H,12-13,17H2,(H,31,33)/b29-27?,30-16+