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

Systemtic Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-methyl-phenoxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-methyl-phenoxy]-5-chloro-benzonitrile CAS Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-methylphenoxy]-5-chlorobenzonitrile IUPAC Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-methylphenoxy]-5-chlorobenzonitrile Traditional Name: 3-[3-(1,3-benzothiazol-2-ylmethoxy)-5-methyl-phenoxy]-5-chloro-benzonitrile Formula: C22H15ClN2O2S MolecularWeight: 406.8847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC4=CC(=CC(=C4)C#N)Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC4=CC(=CC(=C4)C#N)Cl

InChI

InChI=1S/C22H15ClN2O2S/c1-14-6-17(26-13-22-25-20-4-2-3-5-21(20)28-22)11-18(7-14)27-19-9-15(12-24)8-16(23)10-19/h2-11H,13H2,1H3