6-phenyl-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 6-phenyl-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-phenyl-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 6-phenyl-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-phenyl-4-phenylsulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-phenyl-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C23H15N3S2 MolecularWeight: 397.5153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3SC4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C23H15N3S2/c1-3-9-16(10-4-1)20-18-13-7-8-14-19(18)28-23-21(26-20)22(24-15-25-23)27-17-11-5-2-6-12-17/h1-15H