N-(1,3-benzothiazol-2-ylimino)-4-cyano-N'-[(2-fluorophenyl)amino]benzenecarboximidamide

Systemtic Name: N-(1,3-benzothiazol-2-ylimino)-4-cyano-N'-[(2-fluorophenyl)amino]benzenecarboximidamide Openeye Name: N-(1,3-benzothiazol-2-ylimino)-4-cyano-N'-(2-fluoroanilino)benzamidine CAS Name: N-(1,3-benzothiazol-2-ylimino)-4-cyano-N'-(2-fluoroanilino)benzenecarboximidamide IUPAC Name: N-(1,3-benzothiazol-2-ylimino)-4-cyano-N'-(2-fluoroanilino)benzenecarboximidamide Traditional Name: N-(1,3-benzothiazol-2-ylimino)-4-cyano-N'-(2-fluoroanilino)benzamidine Formula: C21H13FN6S MolecularWeight: 400.431523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N=NC(=NNC3=CC=CC=C3F)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N=N/C(=N/NC3=CC=CC=C3F)/C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H13FN6S/c22-16-5-1-2-6-17(16)25-26-20(15-11-9-14(13-23)10-12-15)27-28-21-24-18-7-3-4-8-19(18)29-21/h1-12,25H/b26-20+,28-27?