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

Systemtic Name: [4-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4-chloro-3-nitrophenyl)sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(4-chloro-3-nitrophenyl)sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-chloro-3-nitro-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C15H12ClN3O4S2 MolecularWeight: 397.85648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O4S2/c1-9-5-11(24-8-17)6-10(2)15(9)18-25(22,23)12-3-4-13(16)14(7-12)19(20)21/h3-7,18H,1-2H3