[(Z)-1-benzamido-2-(4-nitrophenyl)sulfanyl-ethenyl]-triphenyl-phosphanium chloride

Systemtic Name: [(Z)-1-benzamido-2-(4-nitrophenyl)sulfanyl-ethenyl]-triphenyl-phosphanium chloride Openeye Name: [(Z)-1-benzamido-2-(4-nitrophenyl)sulfanyl-vinyl]-triphenyl-phosphonium chloride CAS Name: [(Z)-1-benzamido-2-[(4-nitrophenyl)thio]ethenyl]-triphenylphosphonium chloride IUPAC Name: [(Z)-1-benzamido-2-(4-nitrophenyl)sulfanylethenyl]-triphenylphosphanium chloride Traditional Name: [(Z)-1-benzamido-2-[(4-nitrophenyl)thio]vinyl]-triphenyl-phosphonium chloride Formula: C33H26ClN2O3PS MolecularWeight: 597.062901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CSC2=CC=C(C=C2)[N+](=O)[O-])[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/SC2=CC=C(C=C2)[N+](=O)[O-])/[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C33H25N2O3PS.ClH/c36-33(26-13-5-1-6-14-26)34-32(25-40-31-23-21-27(22-24-31)35(37)38)39(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;/h1-25H;1H/b32-25-;