3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-chloranyl-phenoxy]-5-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-chloranyl-phenoxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-chloro-phenoxy]-5-chloro-benzonitrile CAS Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-chlorophenoxy]-5-chlorobenzonitrile IUPAC Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-chlorophenoxy]-5-chlorobenzonitrile Traditional Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-chloro-phenoxy]-5-chloro-benzonitrile Formula: C21H12Cl2N2O2S MolecularWeight: 427.30318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC3=CC(=CC(=C3)OC4=CC(=CC(=C4)C#N)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC3=CC(=CC(=C3)OC4=CC(=CC(=C4)C#N)Cl)Cl

InChI

InChI=1S/C21H12Cl2N2O2S/c22-14-5-13(11-24)6-17(8-14)27-18-9-15(23)7-16(10-18)26-12-21-25-19-3-1-2-4-20(19)28-21/h1-10H,12H2