8-chloranyl-4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 8-chloranyl-4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-chloro-4-(4-chlorophenyl)sulfanyl-6-(3-pyridyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-chloro-4-[(4-chlorophenyl)thio]-6-(3-pyridinyl)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-chloro-4-(4-chlorophenyl)sulfanyl-6-pyridin-3-ylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-chloro-4-[(4-chlorophenyl)thio]-6-(3-pyridyl)pyrimido[4,5-b][1,4]benzothiazepine Formula: C22H12Cl2N4S2 MolecularWeight: 467.39348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(N=CN=C3SC4=CC=C(C=C4)Cl)SC5=C2C=C(C=C5)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(N=CN=C3SC4=CC=C(C=C4)Cl)SC5=C2C=C(C=C5)Cl

InChI

InChI=1S/C22H12Cl2N4S2/c23-14-3-6-16(7-4-14)29-21-20-22(27-12-26-21)30-18-8-5-15(24)10-17(18)19(28-20)13-2-1-9-25-11-13/h1-12H