4-[[1,1,4-tris(oxidanylidene)-2-phenyl-thiochromen-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1,1,4-tris(oxidanylidene)-2-phenyl-thiochromen-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(1,1,4-trioxo-2-phenyl-thiochromen-3-yl)methyl]benzonitrile CAS Name: 4-[(1,1,4-trioxo-2-phenyl-1-benzothiopyran-3-yl)methyl]benzonitrile IUPAC Name: 4-[(1,1,4-trioxo-2-phenylthiochromen-3-yl)methyl]benzonitrile Traditional Name: 4-[(1,1,4-triketo-2-phenyl-thiochromen-3-yl)methyl]benzonitrile Formula: C23H15NO3S MolecularWeight: 385.4351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2(=O)=O)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2(=O)=O)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H15NO3S/c24-15-17-12-10-16(11-13-17)14-20-22(25)19-8-4-5-9-21(19)28(26,27)23(20)18-6-2-1-3-7-18/h1-13H,14H2