2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanenitrile

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanenitrile Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanenitrile CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)propanenitrile IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanenitrile Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)propionitrile Formula: C11H10N2S2 MolecularWeight: 234.3405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2CS1

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2CS1

InChI

InChI=1S/C11H10N2S2/c1-8(6-12)15-11-13-10-5-3-2-4-9(10)7-14-11/h2-5,8H,7H2,1H3