6-(5,6-didehydro-2,3-dihydro-1H-pyrazin-4-yl)benzo[b][1,4]benzothiazepine

Systemtic Name: 6-(5,6-didehydro-2,3-dihydro-1H-pyrazin-4-yl)benzo[b][1,4]benzothiazepine Openeye Name: 6-(5,6-didehydro-2,3-dihydro-1H-pyrazin-4-yl)benzo[b][1,4]benzothiazepine CAS Name: 6-(5,6-didehydro-2,3-dihydro-1H-pyrazin-4-yl)benzo[b][1,4]benzothiazepine IUPAC Name: 6-(5,6-didehydro-2,3-dihydro-1H-pyrazin-4-yl)benzo[b][1,4]benzothiazepine Traditional Name: 6-(5,6-didehydro-2,3-dihydro-1H-pyrazin-4-yl)benzo[b][1,4]benzothiazepine Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C#CN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CN(C#CN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C17H13N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9,11H2