2-(5H-pyrido[3,4-b][1,4]benzothiazin-7-yl)ethanenitrile

Systemtic Name: 2-(5H-pyrido[3,4-b][1,4]benzothiazin-7-yl)ethanenitrile Openeye Name: 2-(5H-pyrido[3,4-b][1,4]benzothiazin-7-yl)acetonitrile CAS Name: 2-(5H-pyrido[3,4-b][1,4]benzothiazin-7-yl)acetonitrile IUPAC Name: 2-(5H-pyrido[3,4-b][1,4]benzothiazin-7-yl)acetonitrile Traditional Name: 2-(5H-pyrido[3,4-b][1,4]benzothiazin-7-yl)acetonitrile Formula: C13H9N3S MolecularWeight: 239.29566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC#N)NC3=C(S2)C=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1CC#N)NC3=C(S2)C=NC=C3

InChI

InChI=1S/C13H9N3S/c14-5-3-9-1-2-12-11(7-9)16-10-4-6-15-8-13(10)17-12/h1-2,4,6-8,16H,3H2