2-[[3-(3-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[[3-(3-chlorophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[3-(3-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C24H16ClFN4O2S MolecularWeight: 478.925843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)F)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)F)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H16ClFN4O2S/c25-14-4-3-5-17(12-14)30-23(32)22-21(18-6-1-2-7-19(18)28-22)29-24(30)33-13-20(31)27-16-10-8-15(26)9-11-16/h1-12,28H,13H2,(H,27,31)