(5-oxidanylidene-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-triphenyl-phosphanium

Systemtic Name: (5-oxidanylidene-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-triphenyl-phosphanium Openeye Name: (5-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-triphenyl-phosphonium CAS Name: (5-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-triphenylphosphonium IUPAC Name: (5-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-triphenylphosphanium Traditional Name: (5-keto-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl-triphenyl-phosphonium Formula: C30H23N3OPS+ MolecularWeight: 504.561881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C(=O)C=C(N=C3S2)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H23N3OPS/c34-28-21-24(31-30-33(28)32-29(36-30)23-13-5-1-6-14-23)22-35(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-21H,22H2/q+1