(2-chloranyl-5-nitro-phenyl)methyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (2-chloro-5-nitro-phenyl)methyl 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (2-chloro-5-nitrophenyl)methyl ester IUPAC Name: (2-chloro-5-nitrophenyl)methyl 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (2-chloro-5-nitro-benzyl) ester Formula: C14H13ClFN3O4S MolecularWeight: 373.787123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClFN3O4S/c1-7-12(11(5-16)18-14(24)17-7)13(20)23-6-8-4-9(19(21)22)2-3-10(8)15/h2-4,11H,5-6H2,1H3,(H2,17,18,24)