4-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzonitrile CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]benzonitrile Formula: C21H14N2OS MolecularWeight: 342.41366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H14N2OS/c22-13-15-9-11-16(12-10-15)14-24-19-7-3-1-5-17(19)21-23-18-6-2-4-8-20(18)25-21/h1-12H,14H2