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

Systemtic Name: (4-methylphenyl) (1E)-N-[(4-nitrophenyl)amino]-1-(phenylsulfonyl)methanimidothioate Openeye Name: p-tolyl (1E)-1-(benzenesulfonyl)-N-(4-nitroanilino)methanimidothioate CAS Name: (1E)-1-(benzenesulfonyl)-N-(4-nitroanilino)methanimidothioic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (1E)-1-(benzenesulfonyl)-N-(4-nitroanilino)methanimidothioate Traditional Name: (1E)-1-besyl-N-(4-nitroanilino)thioformimidic acid p-tolyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S2/c1-15-7-13-18(14-8-15)28-20(29(26,27)19-5-3-2-4-6-19)22-21-16-9-11-17(12-10-16)23(24)25/h2-14,21H,1H3/b22-20+