[3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[(1,3,5-trimethyl-4-pyrazolyl)sulfonylamino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl] ester Formula: C15H18N4O2S2 MolecularWeight: 350.45902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=C(N(N=C2C)C)C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=C(N(N=C2C)C)C)C)SC#N

InChI

InChI=1S/C15H18N4O2S2/c1-9-6-13(22-8-16)7-10(2)14(9)18-23(20,21)15-11(3)17-19(5)12(15)4/h6-7,18H,1-5H3