5-isocyano-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazole-4-carbonitrile

Systemtic Name: 5-isocyano-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazole-4-carbonitrile Openeye Name: 5-isocyano-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazole-4-carbonitrile CAS Name: 5-isocyano-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-4-imidazolecarbonitrile IUPAC Name: 5-isocyano-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazole-4-carbonitrile Traditional Name: 5-isocyano-1-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)imidazole-4-carbonitrile Formula: C16H9N7S MolecularWeight: 331.35456

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(N=CN1CC2=CC3=C(C=C2)SC4=NC=CN=C4N3)C#N

Isomeric SMILES

[C-]#[N+]C1=C(N=CN1CC2=CC3=C(C=C2)SC4=NC=CN=C4N3)C#N

InChI

InChI=1S/C16H9N7S/c1-18-15-12(7-17)21-9-23(15)8-10-2-3-13-11(6-10)22-14-16(24-13)20-5-4-19-14/h2-6,9H,8H2,(H,19,22)