(Z)-3-benzamido-1-methoxy-3-sulfanylidene-2-triphenylphosphaniumyl-prop-1-en-1-olate

Systemtic Name: (Z)-3-benzamido-1-methoxy-3-sulfanylidene-2-triphenylphosphaniumyl-prop-1-en-1-olate Openeye Name: (Z)-3-benzamido-1-methoxy-3-thioxo-2-triphenylphosphaniumyl-prop-1-en-1-olate CAS Name: (Z)-3-benzamido-1-methoxy-3-sulfanylidene-2-triphenylphosphiniumyl-1-propen-1-olate IUPAC Name: (Z)-3-benzamido-1-methoxy-3-sulfanylidene-2-triphenylphosphaniumylprop-1-en-1-olate Traditional Name: (Z)-3-benzamido-1-methoxy-3-thioxo-2-triphenylphosphiniumyl-prop-1-en-1-olate Formula: C29H24NO3PS MolecularWeight: 497.544521

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=S)NC(=O)C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CO/C(=C(/C(=S)NC(=O)C1=CC=CC=C1)\[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/[O-]

InChI

InChI=1S/C29H24NO3PS/c1-33-29(32)26(28(35)30-27(31)22-14-6-2-7-15-22)34(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3,(H-,30,31,32,35)