(2E)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4H-1,4-benzothiazine-3-thione

Systemtic Name: (2E)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4H-1,4-benzothiazine-3-thione Openeye Name: (2E)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-4H-1,4-benzothiazine-3-thione CAS Name: (2E)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4H-1,4-benzothiazine-3-thione IUPAC Name: (2E)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4H-1,4-benzothiazine-3-thione Traditional Name: (2E)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylene)-4H-1,4-benzothiazine-3-thione Formula: C16H11N3S2 MolecularWeight: 309.40864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=S)C(=CC3=CNC4=C3C=CC=N4)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=S)/C(=C\C3=CNC4=C3C=CC=N4)/S2

InChI

InChI=1S/C16H11N3S2/c20-16-14(21-13-6-2-1-5-12(13)19-16)8-10-9-18-15-11(10)4-3-7-17-15/h1-9H,(H,17,18)(H,19,20)/b14-8+