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

Systemtic Name: ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-cyano-6-methyl-4-(3-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=S)C)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=S)C)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-3-23-15(20)18-13(12(8-16)9(2)17-14(18)24)10-5-4-6-11(7-10)19(21)22/h4-7,13H,3H2,1-2H3,(H,17,24)