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

Systemtic Name: [4-[(4-tert-butylphenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-[(4-tert-butylphenyl)sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4-tert-butylphenyl)sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[(4-tert-butylphenyl)sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-tert-butylphenyl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S2/c1-13-10-16(24-12-20)11-14(2)18(13)21-25(22,23)17-8-6-15(7-9-17)19(3,4)5/h6-11,21H,1-5H3