2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)-N-phenyl-isoindole-5-carboxamide

Systemtic Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)-N-phenyl-isoindole-5-carboxamide Openeye Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-N-phenyl-isoindoline-5-carboxamide CAS Name: 2-[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-N-phenyl-5-isoindolecarboxamide IUPAC Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-N-phenylisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-[4-[(4-nitrophenyl)thio]phenyl]-N-phenyl-isoindoline-5-carboxamide Formula: C27H17N3O5S MolecularWeight: 495.50598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H17N3O5S/c31-25(28-18-4-2-1-3-5-18)17-6-15-23-24(16-17)27(33)29(26(23)32)19-7-11-21(12-8-19)36-22-13-9-20(10-14-22)30(34)35/h1-16H,(H,28,31)