2-(1,3-benzothiazol-2-ylsulfanyl)-2-(3-phenoxyphenyl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(3-phenoxyphenyl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(3-phenoxyphenyl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-2-(3-phenoxyphenyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-2-(3-phenoxyphenyl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-2-(3-phenoxyphenyl)acetonitrile Formula: C21H14N2OS2 MolecularWeight: 374.47866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14N2OS2/c22-14-20(26-21-23-18-11-4-5-12-19(18)25-21)15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-13,20H