[4-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(3-chloro-4-methyl-5-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C16H14ClN3O4S2 MolecularWeight: 411.88306

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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)Cl)C)SC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O4S2/c1-9-4-12(25-8-18)5-10(2)16(9)19-26(23,24)13-6-14(17)11(3)15(7-13)20(21)22/h4-7,19H,1-3H3