2-(2-nitrophenyl)ethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(2-nitrophenyl)ethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(2-nitrophenyl)ethyl 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-(2-nitrophenyl)ethyl ester IUPAC Name: 2-(2-nitrophenyl)ethyl 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-(2-nitrophenyl)ethyl ester Formula: C15H16FN3O4S MolecularWeight: 353.368643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H16FN3O4S/c1-9-13(11(8-16)18-15(24)17-9)14(20)23-7-6-10-4-2-3-5-12(10)19(21)22/h2-5,11H,6-8H2,1H3,(H2,17,18,24)