[6-[(4-methylphenyl)amino]-4-sulfanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium

Systemtic Name: [6-[(4-methylphenyl)amino]-4-sulfanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [6-(4-methylanilino)-4-thioxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [6-(4-methylanilino)-4-sulfanylidene-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [6-(4-methylanilino)-4-sulfanylidene-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: triphenyl-[6-(p-toluidino)-4-thioxo-1H-pyrimidin-5-yl]phosphonium Formula: C29H25N3PS+ MolecularWeight: 478.567661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=S)N=CN2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=S)N=CN2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N3PS/c1-22-17-19-23(20-18-22)32-28-27(29(34)31-21-30-28)33(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3,(H-,30,31,32,34)/p+1