ethyl 4-oxidanylidene-1,3-diphenyl-6-(2-phenylethanoylsulfanyl)-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-1,3-diphenyl-6-(2-phenylethanoylsulfanyl)-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-oxo-1,3-diphenyl-6-(2-phenylacetyl)sulfanyl-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-oxo-6-[(1-oxo-2-phenylethyl)thio]-1,3-diphenyl-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-1,3-diphenyl-6-(2-phenylacetyl)sulfanyl-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-keto-1,3-diphenyl-6-[(2-phenylacetyl)thio]-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H22N2O4S2 MolecularWeight: 502.60458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O4S2/c1-2-33-26(32)23-24(31)28(20-14-8-4-9-15-20)27(34)29(21-16-10-5-11-17-21)25(23)35-22(30)18-19-12-6-3-7-13-19/h3-17H,2,18H2,1H3