4-[4-[10,10-bis(oxidanylidene)phenoxathiin-2-yl]-5-phenyl-1H-imidazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[10,10-bis(oxidanylidene)phenoxathiin-2-yl]-5-phenyl-1H-imidazol-2-yl]benzenecarbonitrile Openeye Name: 4-[4-(10,10-dioxophenoxathiin-2-yl)-5-phenyl-1H-imidazol-2-yl]benzonitrile CAS Name: 4-[4-(10,10-dioxo-2-phenoxathiinyl)-5-phenyl-1H-imidazol-2-yl]benzonitrile IUPAC Name: 4-[4-(10,10-dioxophenoxathiin-2-yl)-5-phenyl-1H-imidazol-2-yl]benzonitrile Traditional Name: 4-[4-(10,10-diketophenoxathiin-2-yl)-5-phenyl-1H-imidazol-2-yl]benzonitrile Formula: C28H17N3O3S MolecularWeight: 475.51788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)OC6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C#N)C4=CC5=C(C=C4)OC6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C28H17N3O3S/c29-17-18-10-12-20(13-11-18)28-30-26(19-6-2-1-3-7-19)27(31-28)21-14-15-23-25(16-21)35(32,33)24-9-5-4-8-22(24)34-23/h1-16H,(H,30,31)