ethyl 6-methyl-4-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O3S/c1-4-28-21(27)18-14(3)23-22(30)24-20(18)16-12-26(15-8-6-5-7-9-15)25-19(16)17-11-10-13(2)29-17/h5-12,20H,4H2,1-3H3,(H2,23,24,30)