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

Systemtic Name: ethyl 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H27N5O4S/c1-3-34-23(31)19-15-26-24(32)27-20(19)16-35-25-29-28-22(18-11-7-8-12-21(18)33-2)30(25)14-13-17-9-5-4-6-10-17/h4-12H,3,13-16H2,1-2H3,(H2,26,27,32)