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

Systemtic Name: [4-[(3-cyanophenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(3-cyanophenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(3-cyanophenyl)sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(3-cyanophenyl)sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(3-cyanophenyl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S2/c1-11-6-14(22-10-18)7-12(2)16(11)19-23(20,21)15-5-3-4-13(8-15)9-17/h3-8,19H,1-2H3