[6-azanylidene-1-(4-methylphenyl)-4-methylsulfanyl-1,3-diazinan-5-yl]-triphenyl-phosphanium iodide

Systemtic Name: [6-azanylidene-1-(4-methylphenyl)-4-methylsulfanyl-1,3-diazinan-5-yl]-triphenyl-phosphanium iodide Openeye Name: [6-imino-4-methylsulfanyl-1-(p-tolyl)hexahydropyrimidin-5-yl]-triphenyl-phosphonium iodide CAS Name: [6-imino-1-(4-methylphenyl)-4-(methylthio)-1,3-diazinan-5-yl]-triphenylphosphonium iodide IUPAC Name: [6-imino-1-(4-methylphenyl)-4-methylsulfanyl-1,3-diazinan-5-yl]-triphenylphosphanium iodide Traditional Name: [6-imino-4-(methylthio)-1-(p-tolyl)hexahydropyrimidin-5-yl]-triphenyl-phosphonium iodide Formula: C30H31IN3PS MolecularWeight: 623.530471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CNC(C(C2=N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CNC(C(C2=N)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC.[I-]

InChI

InChI=1S/C30H31N3PS.HI/c1-23-18-20-24(21-19-23)33-22-32-30(35-2)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;/h3-21,28,30-32H,22H2,1-2H3;1H/q+1;/p-1