4-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazol-4-yl]benzenecarbonitrile Openeye Name: 4-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazol-4-yl]benzonitrile CAS Name: 4-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-imidazolyl]benzonitrile IUPAC Name: 4-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazol-4-yl]benzonitrile Traditional Name: 4-[1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazol-4-yl]benzonitrile Formula: C21H14N6S MolecularWeight: 382.44106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CN(C=N2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CN(C=N2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

InChI

InChI=1S/C21H14N6S/c22-10-14-1-4-16(5-2-14)18-12-27(13-25-18)11-15-3-6-19-17(9-15)26-20-21(28-19)24-8-7-23-20/h1-9,12-13H,11H2,(H,23,26)