[4-(cyanomethylsulfanyl)-2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium

Systemtic Name: [4-(cyanomethylsulfanyl)-2-methyl-6-oxidanylidene-1H-pyrimidin-5-yl]-triphenyl-phosphanium Openeye Name: [4-(cyanomethylsulfanyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenyl-phosphonium CAS Name: [4-(cyanomethylthio)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphonium IUPAC Name: [4-(cyanomethylsulfanyl)-2-methyl-6-oxo-1H-pyrimidin-5-yl]-triphenylphosphanium Traditional Name: [4-(cyanomethylthio)-6-keto-2-methyl-1H-pyrimidin-5-yl]-triphenyl-phosphonium Formula: C25H21N3OPS+ MolecularWeight: 442.492501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC#N

Isomeric SMILES

CC1=NC(=C(C(=O)N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SCC#N

InChI

InChI=1S/C25H20N3OPS/c1-19-27-24(29)23(25(28-19)31-18-17-26)30(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,18H2,1H3/p+1