ethyl 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=C(N3C)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=C(N3C)C4=CC=CO4

InChI

InChI=1S/C21H21N5O4S/c1-3-29-19(27)16-14(22-20(28)23-17(16)13-8-5-4-6-9-13)12-31-21-25-24-18(26(21)2)15-10-7-11-30-15/h4-11,17H,3,12H2,1-2H3,(H2,22,23,28)