[(Z)-1-cyano-2-[(4-nitrophenyl)carbonylamino]-2-sulfanyl-ethenyl]-triphenyl-phosphanium

Systemtic Name: [(Z)-1-cyano-2-[(4-nitrophenyl)carbonylamino]-2-sulfanyl-ethenyl]-triphenyl-phosphanium Openeye Name: [(Z)-1-cyano-2-[(4-nitrobenzoyl)amino]-2-sulfanyl-vinyl]-triphenyl-phosphonium CAS Name: [(Z)-1-cyano-2-mercapto-2-[[(4-nitrophenyl)-oxomethyl]amino]ethenyl]-triphenylphosphonium IUPAC Name: [(Z)-1-cyano-2-[(4-nitrobenzoyl)amino]-2-sulfanylethenyl]-triphenylphosphanium Traditional Name: [(Z)-1-cyano-2-mercapto-2-[(4-nitrobenzoyl)amino]vinyl]-triphenyl-phosphonium Formula: C28H21N3O3PS+ MolecularWeight: 510.523401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20N3O3PS/c29-20-26(28(36)30-27(32)21-16-18-22(19-17-21)31(33)34)35(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,(H-,30,32,36)/p+1/b28-26-