ethyl 3-methyl-6-(2-nitrophenyl)-4-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-6-(2-nitrophenyl)-4-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-6-(2-nitrophenyl)-4-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-6-(2-nitrophenyl)-4-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-6-(2-nitrophenyl)-4-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-methyl-6-(2-nitrophenyl)-4-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2[N+](=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2[N+](=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-3-27-19(24)16-17(14-11-7-8-12-15(14)23(25)26)21-20(28)22(2)18(16)13-9-5-4-6-10-13/h4-12,17H,3H2,1-2H3,(H,21,28)