[2-(4-methylphenyl)-5-(2-oxidanylidenepropylsulfanyl)-1,3-thiazol-4-yl]-triphenyl-phosphanium

Systemtic Name: [2-(4-methylphenyl)-5-(2-oxidanylidenepropylsulfanyl)-1,3-thiazol-4-yl]-triphenyl-phosphanium Openeye Name: [5-acetonylsulfanyl-2-(p-tolyl)thiazol-4-yl]-triphenyl-phosphonium CAS Name: [2-(4-methylphenyl)-5-(2-oxopropylthio)-4-thiazolyl]-triphenylphosphonium IUPAC Name: [2-(4-methylphenyl)-5-(2-oxopropylsulfanyl)-1,3-thiazol-4-yl]-triphenylphosphanium Traditional Name: [5-(acetonylthio)-2-(p-tolyl)thiazol-4-yl]-triphenyl-phosphonium Formula: C31H27NOPS2+ MolecularWeight: 524.655941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(S2)SCC(=O)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(S2)SCC(=O)C)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27NOPS2/c1-23-18-20-25(21-19-23)30-32-29(31(36-30)35-22-24(2)33)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,22H2,1-2H3/q+1