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

Systemtic Name: 4-[(E)-[2-methylimino-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[(E)-[2-methylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-3-yl]iminomethyl]benzonitrile CAS Name: 4-[(E)-[2-methylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-thiazolyl]iminomethyl]benzonitrile IUPAC Name: 4-[(E)-[2-methylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzonitrile Traditional Name: 4-[(E)-[4-(3-keto-4H-1,4-benzoxazin-6-yl)-2-methylimino-4-thiazolin-3-yl]iminomethyl]benzonitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)/N=C/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H15N5O2S/c1-22-20-25(23-10-14-4-2-13(9-21)3-5-14)17(12-28-20)15-6-7-18-16(8-15)24-19(26)11-27-18/h2-8,10,12H,11H2,1H3,(H,24,26)/b22-20?,23-10+