8-chloranyl-4-(4-chlorophenyl)sulfinyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 8-chloranyl-4-(4-chlorophenyl)sulfinyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-chloro-4-(4-chlorophenyl)sulfinyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-chloro-4-(4-chlorophenyl)sulfinyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-chloro-4-(4-chlorophenyl)sulfinyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-chloro-4-(4-chlorophenyl)sulfinyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Formula: C23H13Cl2N3OS2 MolecularWeight: 482.40482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3S(=O)C4=CC=C(C=C4)Cl)SC5=C2C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N=CN=C3S(=O)C4=CC=C(C=C4)Cl)SC5=C2C=C(C=C5)Cl

InChI

InChI=1S/C23H13Cl2N3OS2/c24-15-6-9-17(10-7-15)31(29)23-21-22(26-13-27-23)30-19-11-8-16(25)12-18(19)20(28-21)14-4-2-1-3-5-14/h1-13H