6-phenyl-4-(phenylsulfinyl)pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 6-phenyl-4-(phenylsulfinyl)pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-(benzenesulfinyl)-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 4-(benzenesulfinyl)-6-phenylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 4-(benzenesulfinyl)-6-phenylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-(benzenesulfinyl)-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Formula: C23H15N3OS2 MolecularWeight: 413.5147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3S(=O)C4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3S(=O)C4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C23H15N3OS2/c27-29(17-11-5-2-6-12-17)23-21-22(24-15-25-23)28-19-14-8-7-13-18(19)20(26-21)16-9-3-1-4-10-16/h1-15H