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

Systemtic Name: (5-chloranyl-2-nitro-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (5-chloro-2-nitro-phenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (5-chloro-2-nitrophenyl)methyl ester IUPAC Name: (5-chloro-2-nitrophenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (5-chloro-2-nitro-benzyl) ester Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4S/c1-7-10(5-15-13(22)16-7)12(18)21-6-8-4-9(14)2-3-11(8)17(19)20/h2-4H,5-6H2,1H3,(H2,15,16,22)