(Z)-1-methoxy-2-[(3-methylphenyl)carbonylamino]-3-sulfanylidene-3-triphenylphosphaniumyl-prop-1-en-1-olate

Systemtic Name: (Z)-1-methoxy-2-[(3-methylphenyl)carbonylamino]-3-sulfanylidene-3-triphenylphosphaniumyl-prop-1-en-1-olate Openeye Name: (Z)-1-methoxy-2-[(3-methylbenzoyl)amino]-3-thioxo-3-triphenylphosphaniumyl-prop-1-en-1-olate CAS Name: (Z)-1-methoxy-2-[[(3-methylphenyl)-oxomethyl]amino]-3-sulfanylidene-3-triphenylphosphiniumyl-1-propen-1-olate IUPAC Name: (Z)-1-methoxy-2-[(3-methylbenzoyl)amino]-3-sulfanylidene-3-triphenylphosphaniumylprop-1-en-1-olate Traditional Name: (Z)-1-methoxy-2-(m-toluoylamino)-3-thioxo-3-triphenylphosphiniumyl-prop-1-en-1-olate Formula: C30H26NO3PS MolecularWeight: 511.571101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=C([O-])OC)C(=S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N/C(=C(/[O-])\OC)/C(=S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H26NO3PS/c1-22-13-12-14-23(21-22)28(32)31-27(29(33)34-2)30(36)35(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-21H,1-2H3,(H-,31,32,33,36)