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

Systemtic Name: [4-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(4-bromo-3-methyl-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4-bromo-3-methylphenyl)sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(4-bromo-3-methylphenyl)sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-bromo-3-methyl-phenyl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C16H15BrN2O2S2 MolecularWeight: 411.3365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)Br)C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC(=C(C=C2)Br)C)C)SC#N

InChI

InChI=1S/C16H15BrN2O2S2/c1-10-8-14(4-5-15(10)17)23(20,21)19-16-11(2)6-13(22-9-18)7-12(16)3/h4-8,19H,1-3H3