ethyl 1-butyl-6-methyl-2-phenyl-4-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-butyl-6-methyl-2-phenyl-4-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-butyl-6-methyl-2-phenyl-4-thioxo-pyrimidine-5-carboxylate CAS Name: 1-butyl-6-methyl-2-phenyl-4-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-6-methyl-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-butyl-6-methyl-2-phenyl-4-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=S)N=C1C2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(=S)N=C1C2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C18H22N2O2S/c1-4-6-12-20-13(3)15(18(21)22-5-2)17(23)19-16(20)14-10-8-7-9-11-14/h7-11H,4-6,12H2,1-3H3