(E)-2-benzamido-1-[(3-chlorophenyl)amino]-3-sulfanylidene-3-triphenylphosphaniumyl-prop-1-en-1-olate

Systemtic Name: (E)-2-benzamido-1-[(3-chlorophenyl)amino]-3-sulfanylidene-3-triphenylphosphaniumyl-prop-1-en-1-olate Openeye Name: (E)-2-benzamido-1-(3-chloroanilino)-3-thioxo-3-triphenylphosphaniumyl-prop-1-en-1-olate CAS Name: (E)-2-benzamido-1-(3-chloroanilino)-3-sulfanylidene-3-triphenylphosphiniumyl-1-propen-1-olate IUPAC Name: (E)-2-benzamido-1-(3-chloroanilino)-3-sulfanylidene-3-triphenylphosphaniumylprop-1-en-1-olate Traditional Name: (E)-2-benzamido-1-(3-chloroanilino)-3-thioxo-3-triphenylphosphiniumyl-prop-1-en-1-olate Formula: C34H26ClN2O2PS MolecularWeight: 593.074201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=C(NC2=CC(=CC=C2)Cl)[O-])C(=S)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C(\NC2=CC(=CC=C2)Cl)/[O-])/C(=S)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H26ClN2O2PS/c35-26-16-13-17-27(24-26)36-33(39)31(37-32(38)25-14-5-1-6-15-25)34(41)40(28-18-7-2-8-19-28,29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H,(H2-,36,37,38,39,41)