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

Systemtic Name: 2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-phenyl-acetamide Formula: C24H17N5O4S MolecularWeight: 471.48788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C53

InChI

InChI=1S/C24H17N5O4S/c30-20(25-15-6-2-1-3-7-15)14-34-24-27-21-18-8-4-5-9-19(18)26-22(21)23(31)28(24)16-10-12-17(13-11-16)29(32)33/h1-13,26H,14H2,(H,25,30)