6-azanylpyrrolo[1,2-a][3,1]benzothiazepine-5-carbonitrile

Systemtic Name: 6-azanylpyrrolo[1,2-a][3,1]benzothiazepine-5-carbonitrile Openeye Name: 6-aminopyrrolo[1,2-a][3,1]benzothiazepine-5-carbonitrile CAS Name: 6-amino-5-pyrrolo[1,2-a][3,1]benzothiazepinecarbonitrile IUPAC Name: 6-aminopyrrolo[1,2-a][3,1]benzothiazepine-5-carbonitrile Traditional Name: 6-aminopyrrolo[1,2-a][3,1]benzothiazepine-5-carbonitrile Formula: C13H9N3S MolecularWeight: 239.29566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(SC3=CC=CN23)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(SC3=CC=CN23)C#N)N

InChI

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