5-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-pentanenitrile

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-2-phenyl-pentanenitrile Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-phenyl-pentanenitrile CAS Name: 5-(1,3-benzothiazol-2-ylthio)-3-oxo-2-phenylpentanenitrile IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-2-phenylpentanenitrile Traditional Name: 5-(1,3-benzothiazol-2-ylthio)-3-keto-2-phenyl-valeronitrile Formula: C18H14N2OS2 MolecularWeight: 338.44656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H14N2OS2/c19-12-14(13-6-2-1-3-7-13)16(21)10-11-22-18-20-15-8-4-5-9-17(15)23-18/h1-9,14H,10-11H2