6-azanylidene-2-methyl-1-(4-methylphenyl)-5-triphenylphosphaniumyl-pyrimidine-4-thiolate

Systemtic Name: 6-azanylidene-2-methyl-1-(4-methylphenyl)-5-triphenylphosphaniumyl-pyrimidine-4-thiolate Openeye Name: 6-imino-2-methyl-1-(p-tolyl)-5-triphenylphosphaniumyl-pyrimidine-4-thiolate CAS Name: 6-imino-2-methyl-1-(4-methylphenyl)-5-triphenylphosphiniumyl-4-pyrimidinethiolate IUPAC Name: 6-imino-2-methyl-1-(4-methylphenyl)-5-triphenylphosphaniumylpyrimidine-4-thiolate Traditional Name: 6-imino-2-methyl-1-(p-tolyl)-5-triphenylphosphiniumyl-pyrimidine-4-thiolate Formula: C30H26N3PS MolecularWeight: 491.586301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=C(C2=N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[S-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=C(C2=N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[S-])C

InChI

InChI=1S/C30H26N3PS/c1-22-18-20-24(21-19-22)33-23(2)32-30(35)28(29(33)31)34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-21H,1-2H3,(H-,31,35)