4-(2-methylpropyl)-2,6-bis(trifluoromethyl)-1,2-dihydropyridine-3,5-dicarbothioic S-acid

Systemtic Name: 4-(2-methylpropyl)-2,6-bis(trifluoromethyl)-1,2-dihydropyridine-3,5-dicarbothioic S-acid Openeye Name: 4-isobutyl-2,6-bis(trifluoromethyl)-1,2-dihydropyridine-3,5-dicarbothioic S-acid CAS Name: 4-(2-methylpropyl)-2,6-bis(trifluoromethyl)-1,2-dihydropyridine-3,5-dicarbothioic S-acid IUPAC Name: 4-(2-methylpropyl)-2,6-bis(trifluoromethyl)-1,2-dihydropyridine-3,5-dicarbothioic S-acid Traditional Name: 4-isobutyl-2,6-bis(trifluoromethyl)-1,2-dihydropyridine-3,5-dicarbothioic S-acid Formula: C13H13F6NO2S2 MolecularWeight: 393.368239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(NC(=C1C(=O)S)C(F)(F)F)C(F)(F)F)C(=O)S

Isomeric SMILES

CC(C)CC1=C(C(NC(=C1C(=O)S)C(F)(F)F)C(F)(F)F)C(=O)S

InChI

InChI=1S/C13H13F6NO2S2/c1-4(2)3-5-6(10(21)23)8(12(14,15)16)20-9(13(17,18)19)7(5)11(22)24/h4,8,20H,3H2,1-2H3,(H,21,23)(H,22,24)