6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-thioxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C19H15F3N4O4S MolecularWeight: 452.40701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H15F3N4O4S/c1-9-15(17(28)24-12-5-3-2-4-11(12)19(20,21)22)16(25-18(31)23-9)10-6-7-14(27)13(8-10)26(29)30/h2-8,16,27H,1H3,(H,24,28)(H2,23,25,31)