6-pyridin-4-ylbenzo[b][1,4]benzothiazepine

Systemtic Name: 6-pyridin-4-ylbenzo[b][1,4]benzothiazepine Openeye Name: 6-(4-pyridyl)benzo[b][1,4]benzothiazepine CAS Name: 6-pyridin-4-ylbenzo[b][1,4]benzothiazepine IUPAC Name: 6-pyridin-4-ylbenzo[b][1,4]benzothiazepine Traditional Name: 6-(4-pyridyl)benzo[b][1,4]benzothiazepine Formula: C18H12N2S MolecularWeight: 288.36628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)C4=CC=NC=C4

InChI

InChI=1S/C18H12N2S/c1-3-7-16-14(5-1)18(13-9-11-19-12-10-13)20-15-6-2-4-8-17(15)21-16/h1-12H