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

Systemtic Name: N-(4-bromophenyl)-2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-keto-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetamide Formula: C24H16BrN5O4S MolecularWeight: 550.38394

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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)Br)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)Br)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H16BrN5O4S/c25-14-5-7-15(8-6-14)26-20(31)13-35-24-28-21-18-3-1-2-4-19(18)27-22(21)23(32)29(24)16-9-11-17(12-10-16)30(33)34/h1-12,27H,13H2,(H,26,31)