2-(1,3-benzothiazol-2-ylsulfanyl)-2-[3-(phenylcarbonyl)phenyl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-[3-(phenylcarbonyl)phenyl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(3-benzoylphenyl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-(3-benzoylphenyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(3-benzoylphenyl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(3-benzoylphenyl)acetonitrile Formula: C22H14N2OS2 MolecularWeight: 386.48936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H14N2OS2/c23-14-20(27-22-24-18-11-4-5-12-19(18)26-22)16-9-6-10-17(13-16)21(25)15-7-2-1-3-8-15/h1-13,20H