methyl 6-methyl-2-(4-nitrophenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-2-(4-nitrophenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-2-(4-nitrophenyl)-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-(4-nitrophenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-(4-nitrophenyl)-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(4-nitrophenyl)-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H11N3O4S MolecularWeight: 305.30914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H11N3O4S/c1-7-10(13(17)20-2)12(21)15-11(14-7)8-3-5-9(6-4-8)16(18)19/h3-6H,1-2H3,(H,14,15,21)