[4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate

Systemtic Name: [4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]phenyl] ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2C)SC#N)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2C)SC#N)C

InChI

InChI=1S/C19H22N2O2S2/c1-5-13(2)16-6-8-18(9-7-16)25(22,23)21-19-14(3)10-17(24-12-20)11-15(19)4/h6-11,13,21H,5H2,1-4H3/t13-/m0/s1