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

Systemtic Name: 2-[[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-keto-3-[3-(trifluoromethyl)phenyl]-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C26H16F6N4O2S MolecularWeight: 562.486259

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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=CC=C4C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=CC=C4C(F)(F)F)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H16F6N4O2S/c27-25(28,29)14-6-5-7-15(12-14)36-23(38)22-21(16-8-1-3-10-18(16)34-22)35-24(36)39-13-20(37)33-19-11-4-2-9-17(19)26(30,31)32/h1-12,34H,13H2,(H,33,37)