6-(4-fluorophenyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 6-(4-fluorophenyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-(4-fluorophenyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 6-(4-fluorophenyl)-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-(4-fluorophenyl)-4-phenylsulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-(4-fluorophenyl)-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C23H14FN3S2 MolecularWeight: 415.505763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=CC=CC=C4S3)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=CC=CC=C4S3)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H14FN3S2/c24-16-12-10-15(11-13-16)20-18-8-4-5-9-19(18)29-23-21(27-20)22(25-14-26-23)28-17-6-2-1-3-7-17/h1-14H