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

Systemtic Name: 2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]-N-phenethyl-acetamide Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H21N5O4S/c32-22(27-15-14-17-6-2-1-3-7-17)16-36-26-29-23-20-8-4-5-9-21(20)28-24(23)25(33)30(26)18-10-12-19(13-11-18)31(34)35/h1-13,28H,14-16H2,(H,27,32)