(4-methylphenyl) (1E)-1-(4-methylphenyl)sulfonyl-N-[(4-nitrophenyl)amino]methanimidothioate

Systemtic Name: (4-methylphenyl) (1E)-1-(4-methylphenyl)sulfonyl-N-[(4-nitrophenyl)amino]methanimidothioate Openeye Name: p-tolyl (1E)-N-(4-nitroanilino)-1-(p-tolylsulfonyl)methanimidothioate CAS Name: (1E)-1-(4-methylphenyl)sulfonyl-N-(4-nitroanilino)methanimidothioic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (1E)-1-(4-methylphenyl)sulfonyl-N-(4-nitroanilino)methanimidothioate Traditional Name: (1E)-N-(4-nitroanilino)-1-tosyl-thioformimidic acid p-tolyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=N\NC2=CC=C(C=C2)[N+](=O)[O-])/S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H19N3O4S2/c1-15-3-11-19(12-4-15)29-21(30(27,28)20-13-5-16(2)6-14-20)23-22-17-7-9-18(10-8-17)24(25)26/h3-14,22H,1-2H3/b23-21+