4-[2-(1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-(benzenesulfonyl)-2-(1,3-benzothiazol-2-yl)ethyl]benzonitrile CAS Name: 4-[2-(benzenesulfonyl)-2-(1,3-benzothiazol-2-yl)ethyl]benzonitrile IUPAC Name: 4-[2-(benzenesulfonyl)-2-(1,3-benzothiazol-2-yl)ethyl]benzonitrile Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-2-besyl-ethyl]benzonitrile Formula: C22H16N2O2S2 MolecularWeight: 404.50464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H16N2O2S2/c23-15-17-12-10-16(11-13-17)14-21(28(25,26)18-6-2-1-3-7-18)22-24-19-8-4-5-9-20(19)27-22/h1-13,21H,14H2