4-[(4-methylphenyl)sulfonylamino]-5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2-thiolate

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2-thiolate Openeye Name: 5-[(4-isobutoxyphenyl)methyl]-4-(p-tolylsulfonylamino)pyrimidine-2-thiolate CAS Name: 4-[(4-methylphenyl)sulfonylamino]-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-pyrimidinethiolate IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-5-[[4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2-thiolate Traditional Name: 5-(4-isobutoxybenzyl)-4-(tosylamino)pyrimidine-2-thiolate Formula: C22H24N3O3S2- MolecularWeight: 442.57426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC=C2CC3=CC=C(C=C3)OCC(C)C)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC=C2CC3=CC=C(C=C3)OCC(C)C)[S-]

InChI

InChI=1S/C22H25N3O3S2/c1-15(2)14-28-19-8-6-17(7-9-19)12-18-13-23-22(29)24-21(18)25-30(26,27)20-10-4-16(3)5-11-20/h4-11,13,15H,12,14H2,1-3H3,(H2,23,24,25,29)/p-1