[3-methyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [3-methyl-4-[(4-nitrophenyl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-(nosylamino)phenyl] ester Formula: C14H11N3O4S2 MolecularWeight: 349.38484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S2/c1-10-8-12(22-9-15)4-7-14(10)16-23(20,21)13-5-2-11(3-6-13)17(18)19/h2-8,16H,1H3