1-oxidanidyl-1-oxidanylidene-2-phenyl-3-[[4-(5H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one

Systemtic Name: 1-oxidanidyl-1-oxidanylidene-2-phenyl-3-[[4-(5H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one Openeye Name: 1-oxido-1-oxo-2-phenyl-3-[[4-(5H-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one CAS Name: 1-oxido-1-oxo-2-phenyl-3-[[4-(5H-tetrazol-5-yl)phenyl]methyl]-1-benzothiopyran-4-one IUPAC Name: 1-oxido-1-oxo-2-phenyl-3-[[4-(5H-tetrazol-5-yl)phenyl]methyl]thiochromen-4-one Traditional Name: 1-keto-1-oxido-2-phenyl-3-[4-(5H-tetrazol-5-yl)benzyl]thiochromen-4-one Formula: C23H16N4O3S MolecularWeight: 428.46314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3[S+]2(=O)[O-])CC4=CC=C(C=C4)C5N=NN=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3[S+]2(=O)[O-])CC4=CC=C(C=C4)C5N=NN=N5

InChI

InChI=1S/C23H16N4O3S/c28-21-18-8-4-5-9-20(18)31(29,30)22(16-6-2-1-3-7-16)19(21)14-15-10-12-17(13-11-15)23-24-26-27-25-23/h1-13,23H,14H2