4-phenylsulfanyl-6-pyridin-3-yl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 4-phenylsulfanyl-6-pyridin-3-yl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-phenylsulfanyl-6-(3-pyridyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 4-(phenylthio)-6-(3-pyridinyl)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 4-phenylsulfanyl-6-pyridin-3-ylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-(phenylthio)-6-(3-pyridyl)pyrimido[4,5-b][1,4]benzothiazepine Formula: C22H14N4S2 MolecularWeight: 398.50336

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H14N4S2/c1-2-8-16(9-3-1)27-21-20-22(25-14-24-21)28-18-11-5-4-10-17(18)19(26-20)15-7-6-12-23-13-15/h1-14H