[3,5-dimethyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-(nosylamino)phenyl] ester Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC#N

InChI

InChI=1S/C15H13N3O4S2/c1-10-7-13(23-9-16)8-11(2)15(10)17-24(21,22)14-5-3-12(4-6-14)18(19)20/h3-8,17H,1-2H3