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

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-yl)-4-chloranyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-(1,3-benzothiazol-2-yl)-4-chloro-phenoxy]methyl]benzonitrile CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)-4-chlorophenoxy]methyl]benzonitrile IUPAC Name: 4-[[2-(1,3-benzothiazol-2-yl)-4-chlorophenoxy]methyl]benzonitrile Traditional Name: 4-[[2-(1,3-benzothiazol-2-yl)-4-chloro-phenoxy]methyl]benzonitrile Formula: C21H13ClN2OS MolecularWeight: 376.85872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H13ClN2OS/c22-16-9-10-19(25-13-15-7-5-14(12-23)6-8-15)17(11-16)21-24-18-3-1-2-4-20(18)26-21/h1-11H,13H2